My Bibliography 134 ****** A ****** 135 89 Aachen: Transport processes in fluids and in mobile phases (Discussion meeting, Aachen 1989) [...] 136 80 Abraham: Isothermal-isobaric computer simulation of the super= cooled-liquid/glass transition region: Is the short- range order in the amorphous solid fcc? [AP, METH, SO, amorphous solid, glass] 137 74 Abraham: Monte Carlo simulation of physical cluster of water molecules [AP] 138 86 Abraham: Computational statistical mechanics: methodology, applications and supercomputing [METH, review, spinodal decomposition, fractal growth, DLA, Lit] 139 86 Abramo: Phase stability of fluid hard-sphere mixtures interacting through an attractive Yukawa tail [MSA, mean spherical, ML, HS, MC, GL] 2 * Acheson, D. J.: - Elementary Fluid Dynamics Oxford Applied Mathematics and Computing Science Series ZB 32722/2 [Gut geschriebene Einfuehrung] [*] 140 84 Ackerson: Shear-induced partial translational ordering of a colloidal solid [BD, SD] 141 86 Ackerson: Neutron scattering from charge stabilized suspensions undergoing shear [colloids, BD, SD] 142 93 Ackland: Equipartition and ergodicity in closed one-dimensional systems of hard spheres with different masses [Tonks, Kasperkovitz] 143 74 Adams: Chemical potential of hard-sphere fluids by Monte Carlo methods [AP, MC, METH] 145 75 Adams: Fluids of hard spheres with non additive diameters (I.R.McDonald) [AP, ML, HS] 146 76 Adams: Thermodynamic and dielectric properties of polar lattices (I.R.McDonald) [AP, GL, DP] 147 78 Adams: Monte Carlo study of two ions in a Stockmayer solvent (J.C.Rasaiah) [AP, IP, DP, MC] 149 79 Adams: The computer simulation of polar liquids (G.J.Hills) [AP, DP, METH] 150 80 Adams: Computer simulation of highly polar liquids; The hard sphere plus point dipole potential [AP, DP] 151 81 Adams: Static dielectric properties of the Stockmayer fluid from computer simulation [AP, DP] 152 87 Adams: Computer simulation studies of anisotropic systems. XVII. The Gay-Berne model nematogen [GB, liquid crystals, Luckhurst] 153 98 Adams_M: Entropically driven microphase transitions in mixtures of colloidal rods and spheres [Dogic, Fraden, LC, liquid crystals, demixing, smectic] 155 76 Adelman: Fokker-Planck equations for simple non-Markovian systems [KH, SD] 156 79 Adelman: Generalized Langevin theory for many-body problems in chemical dynamics: General formulation and the equivalent harmonic chain representation [SD] 157 81 Adelman: Some formal properties of the METHGLE representation of generalized Brownian motion theory [SD] 3 * Aguilera-Navarro, V. C.: - Condensed Matter Theories, Vol. 5 ZB 32503/5 [de Leeuw, QMC, QMD] 158 98 Aharonov: Quantum Limitations on Superluminal Propagation 159 85 Ahlrichs: Implementation of an electronic structure program system on the cyber 205 (..others) [METH, QM] 160 * Ailawadi: Equilibrium properties of liquids by self-consistent field method [GL] 161 70 Ailawadi: Comments on the coupling betwen linear and angular momentum of structured molecules (D.Forster, B.J.Berne) [GL, SD] 162 71 Ailawadi: Generalized Hydrodynamics and Analysis of current correlation function (A.Rahman, R.Zwanzig) [AP, KH] 163 72 Ailawadi: Theory of depolarized light scattering from molecular liquids Existence of the central diffuse line and the broad background [CILS] 165 76 Ailawadi: Calculation of the structure factor of liquid metals (D.E.Miller) [ME] 166 76 Akesson: Brownian dynamics simulation of interacting particles (B.Joensson) [SD] 167 89 Akesson: Statistical mechanics of nonuniform electrolyte solutions (Doctoral dissertation) [AP, ML, SD] 168 80 Alagona: Structure of a dilute aqueous solution of argon. A Monte Carlo simulation (A.Tani) [ML] 169 71 Albers: Generalized Langevin equations(I.Oppenheim, J.M.Deutch) [SD] 170 59 Alder: Studies in molecular dynamics. I. General Method (T.E.Wainwright) [AP, METH, HS, MD], [Linz 91] 171 63 Alder: Cooperative motion of hard disks leading to melting (W.G.Hoover, T.E.Wainwright) [AP, HS] 173 70 Alder: Studies in molecular dynamics. VIII. The transport coefficients for a hard sphere fluid (T.E.Wainwright, D.M.Gass) [HS, AP, KH, Enskog] 174 72 Alder: Studies in molecular dynamics. X. Corrections of the augmented van der Waals theory for the square well fluid (D.A.Young, M.A.Mark) [AP, GL] 176 73 Alder: Studies in molecular dynamics. XII. Band shape of depolarized light scattered from atomic fluids (H.L.Strauss, J.J.Weis) [AP, CILS] 177 75 Alder: Dielectric properties of fluids composed of spheres of constant polarizability (H.L.Strauss, J.J.Weis) [AP, DP] 178 83 Alder: Comments on Non-equilibrium MD In: Nonlinear Fluid Behavior [METH] 179 94 Alejandre: MD simulations of a flexible molecule in a liquid crystalline solvent [hexane, Gay-Berne, interproton dipolar coupling, NMR] 180 03 Ali: Mixing and phase separation in molecular fluid mixtures [scaled particle, hard convex body] 182 93 Allan: see 93 Daresbury (Daresbury Annual Report 1993) 1578 ** Allen Hard convex body fluids (Auszug) [Mulder, ellipsoids, hard body] 181 95 Allen: Simulations and phase behaviour of liquid crystals 184 80 Allen: Molecular dynamics simulation of a chemical reaction in solution (P.Schofield) [AP, MD, ML, reactions, TST, Kramers] 185 81 Allen: Non equilibrium molecular dynamics simulation and generalized hydrodynamics of transverse modes in molecular fluids (D.Kivelson) [AP, KH, METH, NEMD] 186 83 Allen: A Monte Carlo simulation study of the two dimensional melting mechnism (D.Frenkel, W.Gignac, J.P.McTague) [MC, GL] 187 86 Allen: Non equilibrium molecular dynamics simulation of a molecular fluid subjected to an oscillatory shear perturbation (G.Marechal) [METH, KH, NEMD] 189 89 Allen: MD simulation using hard particles [METH, hard dumbbells, review, liquid crystals] 190 93 Allen: Hard convex body fluids [Evans, Frenkel, Mulder, nematics, spherocylinders, ellipses, ellipsoids, liquid crystals, hard dumbbells] 191 93a Allen: Some notes on Einstein relationships [transport coefficients, shear viscosity, error in McQuarrie] 1730 99 Allen: Molecular simulation and theory of liquid crystal surface anchoring. [LC,hard ellipsoids,homeotropic,bend,dft] 1731 00 Allen: Simulation and theory of the isotropic-nematic interface. [surface tension, ellipsoids] 192 01 Allen_R: Electrostatic potential inside ionic solutions confined by dielectrics: a variational approach [Hansen, solvation, ion channels] 193 75 Alley: Studies in molecular dynamics. XV. High temperature description of the transport coefficients (B.J.Alder) [AP, KH] 194 94 Allgeuer: Control strategy for a redundant PUMA manipulator [robotics] 195 84 Allison: Multistep Brownian Dynamics: Application to short Wormlike chains (J.A.McCammon) [SD, AP] 196 83 Altenberger: Theory of conductance and related isotermal transport coefficients in electrolytes (H.L.Friedman) [KH, ML] 198 89 Amar: Application of the Gibbs ensemble to the study of fluid-fluid phase equilibrium in a binary mixture of symmetric non-additive hard spheres [GEMC, Demixing, Phase separation] 199 96 Amati: Turbulent channel flow simulations using a coarse-grained extension of the Lattice Boltzmann method [METH, KH] 200 86 Ameling: Third virial coefficient of simple linear molecules (K.P.Shukla, K.Lucas) [GL] 201 79 An: Depolarized light scattering from dense noble gases (L.Fishman, T.A.Litovitz, C.J.Montrose, H.A.Posch) [SO, CILS] 202 74 Ananth: Perturbation theory for equilibrium properties of molecular fluids (K.E.Gubbins, C.G.Gray) [GL, AP] 203 71 Andersen: Relationship between the hard sphere fluid and fluids with realistic repulsive forses (J.D.Weeks, D.Chandler) [GL, AP] 206 72 Andersen: Roles of repulsive and attractive forces in liquids; The optimized random phase approximation (D.Chandler, J.D.Weeks) [AP, GL, ORPA] 207 74 Andersen: Cluster expansions for hydrogen bonded fluids. II. Dense liquids [GL, AP] 208 80 Andersen: Molecular dynamic simulation at constant pessure and/or temperature [METH], [Linz 91] 209 83 Andersen: RATTLE: A velocity version of the SHAKE algorithm for molecular dynamics calculations [METH] 211 87 Anderson: Molecular dynamics simulations of hydrocarbon molecules in condensed phases.II. Benzene. (J.J.Ullo, S.Yip) [AP] 212 84 Anderson: Computer simulation of grain growth - I. Kinetics [Srolovitz, Grest, sinter, MC] 213 92 Anderson: Governing Equations of Fluid Dynamics (J. D. Anderson) in: Wendt, Computational Fluid dynamics, ZB 35730 [Navier-Stokes, Euler, Lagrange, ausgezeichnet] 214 89 Andreoni: Ab-initio MD simulation of alkali-metal microclusters [QM, Car] 1732 02 Andrienko: Defect structure and torque on an elongated colloidal particle immersed in a liquid crystal host. [Allen,LC] 215 95 Anta: A fast method of solving the hypernetted-chain equation for molecular Lennard-Jones fluids [HNC, GL] 216 95a Anta: Integral equation for mixtures of molecular fluids [matrix OZ equation, Verlet bridge fct, GL] 217 03 Antypov: Orientational and phase-coexistence behavior of hard rod-sphere mixtures [Cleaver, HGO, demixing] 1733 97 Aoki: Molecular dynamics simulations of liquid crystal phase transitions. [MPT, MD, LC, Kihara] 218 91 Archer: Theory and computer simulations of heteronuclear diatomic HS molecules (hard dumbbells) [MPT-MC, AP, GL, perturbation theory, ] 219 75 Ashurst: Dense fluid shear viscosity via nonequilibrium molecular dynamic (W.G.Hoover) : [AP, NEMD, METH] 220 77 Aviram: The virial pressure in a fluid of hard polyatomic molecules (D.J.Tildesley, W.B.Streett) [AP, GL] 221 78 Aviram: A Monte carlo study of mixtures of hard diatomic molecules (D.J.Tildesley) [AP, MC, GL] 222 79 Ayala: Mechanismen der Evolution [SO] 223 ****** B ****** 1734 98 Bacchiocchi: Directional energy transfer in columnar liquid crystals: A computer simulation study. [GB,LC,discotic,Zannoni] 224 89 Badirkhan: Statistical mechanical models for liquid and amorphous structure in covalently bonded systems [GL, Tosi] 226 88 Bai-Lin: Numerical methods to study chaos in ODE's [FR, chaos, METH, Poincare, Henon, dynamical systems] 225 97 Bai: Self-diffusion measurements of methanol and 1-decanol in supercritical CO2 by 13C pulsed field-gradient NMR [Zeidler, rough hard spheres] 227 01 Baierlein: The elusive chemical potential [didactics] 228 86 Bak: The devil's staircase [FR] 229 88 Bak: Self-organized criticality [FR, SD, sandpile] 5 * Baker, G.L., and Gollub,J.P.: - Chaotic Dynamics, an Introduction ZB 33690 [FR, chaos, Lyapunov] 230 82 Bakker: Molecular dynamics of 16000 Lennard-Jones particles [AP, GL, LJ] 231 85 Ball: Large scale lattice effect in diffusion limited aggregation [FR, DCA, DLA, MC] 234 78 Balucani: Lineshape theory and molecular dynamics in collision induced light scattering (V.Tognetti, R.Vallauri) [SO, MD, CILS, PD] 235 80 Balucani: Relative motions in atomic fluids: A molecular dynamics investigation (R.Vallauri) [PD, AP, CILS] 236 82 Balucani: Interparticle velocity correlations in simple liquids (R.Vallauri, C.S.Murthy) [PD] 237 83 Balucani: Velocity correlations, cooperative effects and relative diffusion in simple liquids (R.Vallauri, C.M.Murthy, M.S.Woolfson) [PD] 241 90 Balucani: Diffusion in ordinary and supercooled liquids [KH] 242 92 Balucani: Microscopic dynamics in simple liquids [KH, kinetic theory, mode-mode coupling, MMC, memory function, Mori] 1635 95 Bando: Dynamical model of traffic congestion and numerical simulation. [] 243 .. Bansal: Computer experiments on classical fluids: Triplet correlations and moments of current correlation functions (W.Bruns) [AP, GL, triplet, g3] 244 84 Bansal: Calculation of the shear viscosity of liquid rubidium by nonequilibrium molecular dynamics (W.Bruns) [KH, METH, NEMD] 4 * Bao-Lin, Hao (ed.): - Directions in Chaos World Sci. 1988 ZB 30398/4 [FR, CA, quantum chaos, self-organized criticality, discrete fluids, dynamical systems] 245 89 Baratham: Reactive dynamics in a deterministic thermal bath [METH, barrier crossing, reactions, Kramers, Nose, SD], [*] 246 91 Barber: Observation of synchronous picosecond sonoluminescence [SONST, SPH?] 247 90 Barbero: The structure of the distortion free-energy density in nematics: second-order elasticity and surface terms [K13, liquid crystals] 248 93 Barbero: Splay-bend curvature and temperature-induced surface transitions in nematic liquid crystals [K13] 249 95 Barbero: Sub-surface deformations in nematics [K13, liquid crystals] 1735 99 Barbero: Nematic ordering in a cell with modulated surface anchoring: Effects of flexoelectricity. [LC] 250 58 Bareiss: A survey and classification of transport theory calculation techniques [SO, n-transport, Boltzmanngleichung] 253 .. Barker: Perturbation theory and the equation of state for fluids III. Improved results for the square-well potential (D.Henderson) [AP, GL] 254 67 Barker: Atomic interactions in argon (A.Pompe) [AP, GL] 256 68 Barker: The equation of state of simple liquids (D.Henderson) [AP, GL] 257 69 Barker: Pair and triplet interactions in argon (D.Henderson) [AP, GL] 260 71 Barker: Perturbation theory and the equilibrium structure of simple liquids [AP, GL] 261 73 Barker: Monte Carlo studies of the dielectric properties of water-like models (R.O.Watts) [METH, DP, reaction field, RF] 263 75 Barker: A theory of the hard sphere solid II (H.M.Gladney) [GL] 264 76 Barker: What is "liquid"? Understanding the states of matter (D.Henderson) [GL, review, Lit] 265 79 Barker: A quantum statistical Monte Carlo method; path integrals with boundary conditions [METH, QM, PIMC] 266 83 Barker: Solid argon revisited: Pair and many body potentials (M.V.Bobetic) [AP, GL] 267 86 Barker: Many body interactions in rare gases [AP, GL] 1666 03 Barmes: Computer simulations of hard pear-shaped particles. molecules. [Cleaver, LC, MC, nematic, smectic] 268 86 Barnett: Electron affinity of fluorine: A quantum Monte Carlo study (P.J.Reynolds, W.A.Lester) [QM] 269 89 Barnett: Relaxation dynamics following transition of solvated electrons (U.Landman, A.Nitzan) [METH, QM, solvent relaxation] 7 * Barnsley, M.: - The Desktop Fractal Design Handbook (mit floppy) ZB 33225 [FR, collage theorem, contraction mapping, iterated function systems, IFS] 6 * Barnsley,M.: - Fractals Everywhere ; A.P. 1988 ZB 33222 [FR, collage theorem, contraction mapping, iterated function systems, IFS] 270 90 Barnsley: Fractal modelling of real world images (in: Peitgen et al. (eds.): The science of fractal images, ZB 23496 [FR, collage theorem, Farn] 271 73 Barojas: Simulation of diatomic homonuclear liquids (D.Levesque, B.Quentrec) [AP, GL] 272 87 Barrat: Density functional theory of soft sphere freezing (J.P.Hansen, G.Pastore) [GL] 273 89 Barrat: Isotopic shift in the melting curve of helium: A PIMC study [QM], [Linz 91] 1697 92 Barrat: Barometric equilibrium as a probe of the equation of state of colloidal suspensions. [DFT, local density, Hansen] 274 71 Bartoli: Raman scattering: Orientational motions in liquids (T.A.Litovitz) [LS] 8 72 Bartoli: Analysis of orientational broadening of Raman line shapes 1569 00 Bates Phase behavior of two-dimensional hard rod fluids [MC, 2D, Frenkel, spherocylinder, solid, nematic, isotropic] 275 02 Baughman: Carbon nanotubes - the route toward applications [survey] 1648 95 Baus, Rull, Ryckaert: Observation, prediction and simulation of phase transitions in complex fluids. ZB 29408/c,460 [Hansen, Allen, Frenkel, Panagiotopoulos, Lekkerkerker, overview] 276 70 Baxter: Ornstein-Zernike relation and Percus-Yevick approximation for fluid mixtures [ML, GL, OZ, PY] 8 * Bazarov, I. P., und Nikolaev, P. N.: - Theory of many-particle systems ZB 32423 [Einfuehrung, Stat. Mechanik, Bogolyubov, Statist. Thermodynamik, Percus-Yevick, liquids, hard disks, MC, MD, crystals, solids, reciprocal lattice, normal coordinates] 277 80 Bdzil: Chemically driven convection (H.L.Frisch) [SO] 278 70 Bearman: Equation of state of dense fluids. VII. PY theory of Cv extrema and comparison with experiment [GL] 279 92 Beazley: Parallel algorithms for short-range molecular dynamics [MD, METH, neighbor lists] 1587 99 Bechinger Entropische Kraefte. Warum sich repulsiv wechselwirkende Teilchen anziehen koennen. [demixing, phase, binary, hard spheres, HS] 280 87 Beck: Rare gas clusters: solids, liquids, slush and magic numbers (J.Jellinek, R.S.Berry) [AP] 281 89 Beck: Locating stationary paths in functional integrals: An optimization method utilizing the stationary phase MC sampling function [QM, PIMC, METH] 282 ** Becke: NUmerical MOLecules (Lecture note) [DSF, density functional, QM] 283 72 Becker: Ultraschalluntersuchungen ueber die Dimerisation von Essigsaeure in Mischungen mit Tetrachlorkohlenstoff (F.Kohler) [SO] 284 76 Beeman: Some multistep methods for use in molecular dynamics calculations [METH] 285 76 Beevers: Consideration of dielectric relaxation and the Kerr effect (J.Crossley, D.C.Garrington, G.Williams) [DP] 286 89 Behret: Physikalische Chemie und Verfahrenstechnik unter Schwerelosigkeit [SO, Aachen, Richter] 287 93 Belas: Deep p-n junction in HG1-xCdxTe created by ion milling [Grill, semiconductors] 288 63 Bellemans: Statistical mechanics of surface phenomena. Relation between surface tension and curvature. [GL] 289 80 Bellemans: Molecular dynamics of rigid and non-rigid necklaces of hard discs (J.Orban, D.Van Belle) [CD, METH] 1736 02 Bellini: Nematics with quenched disorder: what is left when long range order is disrupted? [Zannoni, LC] 290 00 Bembenek: The role of attractive interactions in self-diffusion [Zeidler, LJ] 291 97 Bemrose: Computer simulation of bi-disperse liquid crystals: The effect of concentration on phase behaviour and structural properties [Cleaver, NPT, Gay-Berne, nematic, smectic, LJ jellium] 292 97A Bemrose: A molecular dynamics study of a bi-disperse liquid crystal mixture using a generalized Gay-Berne potential [NS transition, LC, no layering] 1729 95 Bemrose: Bidisperse liquid crystals phase behaviour of a mixture of generalised Gay-Berne rods. [Cleaver,LC,GB] 293 ** Ben-Amotz: Microscopic frictional forces on molecular motion in liquids Picosecond rotational diffusion in alkanes and alcohols (T.W.Scott) [AP, KH] 295 73 Ben-Naim: Generalized molecular distribution functions [GL, METH] 298 71 Ben-Reuven: Comparison of relaxation times from dielectric and light scattering measurments in aromatic liquids (E.Zamir) [DP, LS] 1670 05 Bena: Jarzynski equality for the Jepsen gas. [KT] 294 76 Benettin: Kolmogorov entropy and numerical experiments (L.Galgani, J.M.Strelcyn) [FR, Ljapunov] 296 87 Bennet: Notes on the history of reversible computation [SO, Maxwell's demon, information theory] 299 86 Bensor: FORTRAN on the micro. 10 compilers and 17 utilities reviewed [SO, PC-FORTRAN] 300 88 Benz: Applications of SPH to astrophysical problems [smoothed particle, KH, METH] 301 95 Berardi: A generalized Gay-Berne intermolecular potential for biaxial particles [Zannoni] 302 98 Berardi: Chiral induction in nematics A computer simulation study [chiral surface, Gay-Berne, twist, anchoring] 303 72 Berendsen: CECAM-Workshop MD and MC calculations on water [Ewald, Stockmayer, polarizability, quantum corrections, Singer, McDonald, Barker, Rahman] 304 74 Berendsen: CECAM-Workshop Methods in MD / long time scale events [Orban-Ryckaert, Finney, long range forces, dipoles, water] 305 84 Berendsen: MD simulations: Techniques and approaches (W.F.van Gunsteren) [METH, CD] 306 75 Beret: Perturbed hard-chain theory: An equation of state for fluids containing small or large molecules (Prausnitz) [GL] 307 86 Bergsma: Transient X-ray scattering calculated from MD [PD, reactions, METH, Morse pot., iodine dissociation] 308 83 Berkowitz: Generalized Langevin dynamics simulations with arbitrary time-dependent memory kernels [SD] 309 .. Bernal: Studies in the geometry of random packing [AP, GL] 310 66 Berne: On the calculation of autocorrelation functions of dynamical variables (J.P.Boon, S.A.Rice) [KH, linear response, memory] 311 72 Berne: Gaussian model potentials for molecular interactions (Berne-Pechukas) [Gaussian overlap, polyatomics, AP, liquid crystals] 312 787 Berne: Molecular dynamics of the rough sphere fluid. II. Kinetic models of partially sticky spheres, structured spheres, and rough screwballs [SO] 313 .. Berne: Light scattering and fluctuations, in: Dynamic Light Scattering (Berne, Pecora) [LS] 314 81 Berry: Semiclassical mechanics of regular and irregular motion [FR, Chaos, integrable systems] 315 81a Berry: Regularity and chaos in classical mechanics, illustrated by three deformations of a circular "billiard" [FR] 316 77 Bertagnolli: Molecular pair correlation function of liquid acetonitrile from X-ray and neutron diffraction studies (M.D.Zeidler) [GL, LS] 317 78 Bertagnolli: A neutron diffraction study of liquid chloroform I. CDCl3 (D.O.Leicht, M.D.Zeidler, P.Chieux) [GL, LS] 318 89 Bertolini: Diffusion effects of hydrogen bond fluctuations. I. The long time regime of the translational and rotational diffusion of water [AP, KH] 319 89b Bertolini: Diffusion effects of hydrogen bond fluctuations. II. From the short to the long time regime in the translational dynamics of water [AP, KH] 320 68 Bethe: Thomas-Fermi theory of nuclei [SO, QM] 322 91b Bhattacharya BROWNIAN from MOTECC-91 (Clementi) [BD, METH, SD, Oseen, Rotne-Prager, hydrodynamic interactions] 321 91 Bhattacharya: BD simulations of a complex fluid system [BD, colloids, MOTECC] 323 03 Bidoae: An Eulerian-Lagrangian marker and micro cell simulation method for fluid interaction with solid/porous bodies [IUTAM Symosium 03, MAC, METH, CP, Paracelsus, tsunami] 9 * Binder, K. (ed.): - The MC Method in Condensed Matter Physics ZB 28452/71 [Levesque-Weis, Ceperley, Stauffer, ...] 324 74 Binder: Monte Carlo computer experiments on critical phenomena and metastable states [METH, Ising, MC, critical, scaling] 325 73 Binder: Monte Carlo calculation of the scaling equation of state for the classical Heisenberg ferromagnet (H.Mueller-Krumbhaar) [METH, scaling, critical, MC] 326 75 Binder: Monte Carlo simulation of physical clusters of water molecules [comment, Abraham, Barker, METH, SO] 328 76 Binder: Monte Carlo simulation of a three-dimensional spin glass (D.Stauffer) [MC, CA, Ising] 329 86 Binder: Applications of Monte Carlo method in Statistical Physics: Update 1986 (mit Baumgaertner, Hanse, Kalos, Lehr, Landau, Levesque, Mueller-Krumbhaar, Rebbi, Saito, Schmidt, Stauffer, Weis) [review, Lit, METH] 330 92 Binder: Phase transitions in reduced geometry [MC, finite size scaling] 331 ** Binder: Molecular dynamics simulations [tutorial, NEMD, glass] 332 03 Binder: Atomistic simulation of transport phenomena in simple and complex fluids and fluid mixtures [NEMC, METH, NEMD] 1622 ** Binder?: Off lattice simulations. [METH, HS, MC, MD, NPT, demixing, phase separation] 333 95 Bird: Constitutive equations for polymeric liquids [overview, stress tensor, viscoelasticity] 334 91 Birdsall: Particle-in-cell charged-particle simulations, plus Monte Carlo collisions with neutral atoms, PIC-MCC [plasma, hydrodynamics] 335 95 Birdsall: Plasma device particle simulation codes PIC-MCC, 1d3v, 2d3v / electrostatic and electromagnetic, from Plasma Theory and Simulation Group, berkeley, CA [particle-in-cell, hydrodynamic simulations, plasma] 336 74 Bishop: Molecular dynamics of one-dimensional hard rods (B.J.Berne) [METH, SO] 337 79 Bishop: Molecular dynamics of polymeric systems (M.H.Kalos, H.L.Frisch) [AP, CD] 338 82 Bishop: Investigations of model polymers: Dynamics of melt and statics of a long chain in a dilute melt of shorter chains (D.Ceperley, H.L.Frisch, M.H.Kalos) [AP, reptation] 339 83 Bishop: The influence of attractions on the static and dynamic properties of simulated single and multichain systems (M.H.Kalos [AP, reptation, MD] 340 86 Bishop: Scaling in two dimensional linear and ring polymers (J.P.Michels) [AP, SD, BD] 341 87 Bishop: Error analysis in computer simulations (S.Frinks) [METH, SD, block averages] 342 85 Blackmore: A solution of Kramers equation for the isomerization of n-butane in CCl4 [reactions, rate, KH] 343 90 Blaschko: Martensitic phase transformations in alkali metals and Cobalt alloys by neutron scattering techniques [SO] 344 91 Blaschko: Hydrogen ordering in metal-hydrogen systems [SO, hydrides, chain structure, linear structure] 345 92 Blaschko: Evolution of surface and pore volume in compacted metal powders [sintering, coarsening, n-scattering, pore elimination] 349 84 Bluemich: Stochastic time resolved CIDNP spectroscopy. Suggestion of an experimental method [SO] 350 .. Bluemich: Stochastic NMR spectroscopy [SO] 346 73 Blum: General theory of elastic light scattering (H.L.Frisch) [SO, LS] 347 .. Blum: Diffraction by molecular liquids (A.H.Narten) [SO, LS] 348 90 Blum: Structured electrode interfaces [surface] 351 97 Bocquet: Friction tensor for a pair of Brownian particles: Spurious finite-size effects and molecular dynamics estimates [Hansen, coupled Langevin, stochastic dynamics, SD, hydrodynamic interaction] 1772 96 Bohle: Polydispersivity and ordered phases in solutions of rodlike macromolecules. [DFT, LC, nematic, smectic, demixing] 352 82 Bol: Monte Carlo simulations of fluid system of waterlike molecules [DP] 353 75 Boley: Projector operator approach to a renormalized kinetic theory [KH] 354 94 Bolhuis: Numerical study of the phase diagram of a mixture of spherical and rodlike colloids [HS, needles, Gibbs ensemble, GEMC, multiparticle moves, LC, liquid crystals, METH] 355 97 Bolhuis: Numerical study of the phase behavior of rodlike colloids with attractive interactions [AO model, Asakura-Oosawa, demixing, LC, liquid crystals] 356 97A Bolhuis: Tracing the phase boundaries of hard spherocylinders [Frenkel, MC, Monte Carlo, Gibbs-Duhem, HSC, LC, liquid crystals] 1620 98 Bolhuis: Sampling ensembles of deterministic transition pathways. [METH, Dellago, Chandler] 358 .. Boltzmann: Mechanische Analogie ... Aus: Vorlesungen ueber Gastheorie [KH] 359 80 Bonneville: Local field in liquid dielectrics: A two-parameter mean field approach [DP] 360 70 Boon: Transport functions and light scattering in simple dense fluids [KH, LS] 361 93 Boon: L'Hydrodynamique Modelisee sur Reseau (Frisch, D'Humieres) [NN, lattice gas, KH] 362 86 Borgis: On the equilibrium approach to isomerizaton dynamics in liquids (M.Moreau) [reactions, Kramers] 1588 01 Bosetti Entropy-driven demixing in spherocylinder binary mixtures. [DCF, spherical harmonics, Wigner, Perera, *] 363 01 Bosetti: Entropy-driven demixing in spherocylinder binary mixtures [direct correlation, DCF, freely rotating linear, LC, liquid crystals] 365 78 Bosse: Current fluctuation spectra of liquid argon near its triple point (W.Goetze, M.Luecke) [KH, mode coupling] 366 80 Bossis: Molecular dynamics calculation of the dielectric constant II. Static properties of a fluid of two-dimensional Stockmayer molecules (B.Quentrec, C.Brot) [AP, DP] 367 81 Bossis: Molecular dynamics calculation of the dielectric constant IV. 2D fluids of various modified Stockmayer molecules (C.Brot) [AP, DP] 369 82 Bossis: The dynamical Onsager cavity model and dielectric friction [AP, DP] 370 92 Bossis: Brownian and Stokesian Dynamics [SD, pair dynamics, hydrodynamic interaction, Oseen, Rotne-Prager, colloids, BD] 371 93 Bossmann: Experimental results and aspects of analytical treatment of vapour pressure measurements in hydrated melts at elevated temperatures [SO, Richter, Aachen] 372 74 Boublik: Statistical thermodynamics of convex molecule fluids [GL] 373 75 Boublik: Hard convex body equation of state [GL] 375 76 Boublik: Perturbationstheorien fur Fluessigkeiten und Fluessigkeits- gemische [GL, ML] 376 87 Boublik: Simple perturbation method for convex molecule fluids [GL, Kihara, WCA] 1611 70 Boublik: Hard sphere equation of state. [CS, Carnahan, SPT, mixture] 377 .. Bowler: Physics on parallel computers part 1 [METH, parallel] 378 87 Boyd: A comparison of the implementation and performance of the Nanbu and Bird direct simulation Monte Carlo methods [METH] 379 93 Bradac: The computer simulation of Brownian rotatory motion [SD, dipole] 380 98 Bradac: Molecular dynamics study of nematic structures confined to a cylindrical cavity [Krlaj,Lebwohl-Lasher, MD, LC] 1722 02 Bradac: Molecular dynamics study of the isotropic-nematic quench. [Kralj,LC,Brownian] 1723 03 Bradac: Annihilation of nematic point defects: Postcollision scenarios. [Kralj,LC,Brownian] 381 91 Bratko: The structure of a model ionic melt in a planar slit [GL, MC, Blum] 382 89 Bratko: Structure of hard sphere fluids in narrow cylindrical pores [Blum, MC, PY, HS] 383 71 Bratos: Raman study of liquids I. Theory of the Raman spectra of diatomic molecules in inert solutions (E.Marechal) [LS] 384 89 Bratos: Isotopic Raman study of pre-reactive, reactive and post-reactive processes in liquids. In: Dorfmller, ed.: Reactive and flexible molecules in liquids. Kluwer 1989. [rate processes, pair dynamics, PD, Smoluchowski] 385 91 Braunstein: Exact versus Quantum MC analysis of the groundstate of the one-dimensional Hubbard model for finite lattices [wave function, many-fermion system, METH, high-Tc superconductors, QMC. anyons] 386 81 Brawer: Molecular dynamics simulations of the structure of rare-earth- doped beryllium fluoride glasses (M.J.Weber) [SO] 387 90 Bray: Path integrals and non-Markov processes. II. Escape rates and stationary distributions in the weak-noise limit [rate processes, SD; I.:McKane] 388 75 Breitenecker: On a class of escape orbits without collisions in the general three-body problem [SO] 389 84 Brender: Monte Carlo study of polyelectrolyte behavior II. Configurational properties (M.Lax, S.Windwer) [AP] 390 78 Brey: Numerical calculation of critical exponents from the Percus-Yervick equation (A.Santos, L.F.Rull) [GL] 391 82 Brey: Computer studies of Brownian motion in a Lennard-Jones fluid: The Stokes law (J.Gomez) [KH, SD, memory] 392 83 Brey: On the derivation of an N-particle analogue of the Fokker- Planck equation (J.M.Casado, M.Morillo) [KH, PD, SD] 393 75 Briant: Molecular dynamics study of the structure and thermodynamic properties of argon microclusters (J.J.Burton) [AP] 394 14 Brillouin: Diffusion de la lumiere par un corps transparent homogene [LS] 395 21 Brillouin: Diffusion de la lumiere et des rayons X par un corps transparent homogene: influence de l'agitation thermique [LS, KH] 396 80 Brito: Influence of dielectric friction on molecular reorientations (P.Bordewijk) [DP] 397 83 Broda: Warum war es in Oesterreich um die Naturwissenschaft so schlecht bestellt? [SO] 398 75 Broda: Zur Technologie des Krieges heute [SO] 399 77 Broda: Entwicklungsgeschichte des atmosphrischen Stickstoffs [SO, evolution] 400 80 Broda: The evolution of the bioenergetic processes [SO, evolution] 401 80a Broda: Evolutionary considerations on the thermodynamics of nitrogen fixation [SO, evolution] 402 80b Broda: Alexander Ivanovich Oparin (Obituary) [SO] 403 86 Brode: An optimized MD program for the vector computer CYBER 205 [Ahlrichs, site-site potential, vectorization] 10 * Brooks,Charles, Karplus,Martin, Pettitt - Proteins: a theoretical perspective of dynamics, structure, and thermodynamics ZB 15124/71 [stochastic boundary conditions, solvent effects] 405 82 Brooks: Dynamics of liquid state chemical reactions: Modeling of R-dependent correlation functions (S.A.Adelman) [SD] 406 83 Brooks: Deformable stochastic boundaries in molecular dynamics (M.Karplus) [METH, SD] 407 69 Brot: On classical collision broadening [CILS] 408 70 Brot: Orientational freedom of molecules in crystals II. Higher order transition by progressive decorrelation of orientations. A Monte Carlo calculation. (I.Darmon) [FK, MC] 409 80 Brot: Molecular dynamics calculation of the dielectric constant III. Dynamic properties of a fluid of 2-D Stockmayer molecules. [AP, DP] 410 84 Brown A.C.: Velocity correlations in supercooled nucleated liquid rubidium (R.D.Mountain) [PD, cross correlations] 411 87 Brown: A computer simulation study of the effect of molecular mass distribution on mass and momentum transport in molecular liquids (J.H.R.Clarke) [AP, METH, NEMD] 412 88 Brown: Studies of chemical reactivity in the condensed phase. IV. Density dependent MD simulations of vibrational relaxation in simple liquids [PD, recombination, iodine, recollision], [Linz 91] 413 61 Broyles: Solutions of the Percus-Yevick equation [GL] 414 62 Broyles: Comparison of radial distribution functions from integral equations and Monte Carlo (S.U.Chung, H.L.Sahlin) [AP, GL] 415 95 Brugmans: Competition between vitrification and crystallization of methanol at high pressure [methanol, classical nucleation theory, experiment, Frenkel] 416 84 Bruin: Molecular dynamics study of the two-dimensional Lennard-Jones equation of state (A.F.Bakker, M.Bishop) [METH, Delft] 418 71 Bucaro: Molecular motions in CCl4: Light scattering and infrared absorption (T.A.Litovitz) [CILS, PD] 419 73 Buckingham: The polarizability of a pair of helium atoms (R.S.Watts) [CILS, QM] 420 65 Bullough: Multiple scattering and the scattering of light by large or small molecules in solution [LS] 421 75 Buontempo: The far infrared absorption of N2 in the gas and liquid phases (S.Cunsolo, G.Jacucci, J.J.Weis) [FIR, CILS] 11 * Burden, Faires: - Numerical Analysis ZB 32660 [CP] 422 81 Burgos: Electrical multipoles and multipole interactions: compact expressions and a diagrammatic method (H.Bonadeo) [CILS, DP] 423 71 Busby: Classical model for gas-surface interaction (J.D.Haygood, C.H.Link jr.) [METH, surface] 1755 98 Butler: Configurational temperature: Verification of Monte Carlo simulations. [Rugh] 425 83 Buzbee: The efficiency of parallel processing [SO] 426 84 Byrnes: Monte Carlo simulation of liquid ethane (S.I.Sandler) [AP] 427 ****** C ****** 1647 099 Caccamo, Hansen, Stell: New approaches to problems in liquid state theory. ZB 29408/c,529 [DFT, Rosenfeld, overview] 428 84 Caccamo: Modified HNC approximation for a two component charged hard sphere system (mit G. Malescio) [HS, GL, ML] 429 88 Cagin: Fundamental treatment of molecular dynamic ensembles (J.R.Ray) [METH] 430 91 Cagin: Molecular dynamics with a variable number of molecules (Molecular Physics, 1991, Vol.72, No.1, 169-175) [MD, Grand Canonical, GCMD, Semigrand] 431 93 Cagin: Molecular dynamics methods in studying phase equilibria [Grand Canonical MD, Gibbs Ensemble MD, GEMC] 1737 93 Cagnon: Positional anchoring of smectic liquid crystals. [LC,EXP] 432 81 Caillol: Theoretical determination of the dielectric constant of a two dimensional dipolar fluid (D.Levesque, J.J.Weis) [DP] 433 89a Caillol: Electrical Properties of polarizable ionic solutions. I. Theoretical aspects (D.Levesque, J.J.Weis) [DP, METH, KH] 434 89b Caillol: Electrical properties of ionic solutions. II. Computer simulation results (D.Levesque, J.J.Weis) [DP, METH] 1645 89 Caillol: Integral equation study of parallel hard spherocylinders. [PY, HNC, Weis] 435 99 Calado: The building-up of phase diagrams [GEMC, demixing, phase transitions] 436 77 Calderwood: On the theory of the Debye and the far infrared absorption of polar fluids (W.T.Coffey) [SO] 1581 00 Calero Suitability of the Kihara potential to predict molecular spectra of linear polyatomic liquids [GEMC, MD, multipole, quadrupole, CO2, Lago] 437 95 Calleja: Model for hard molecular fluids: ellipsoidal fluids [nematics, liquid crystals, LC, discrete orientations, equation of state] 438 95a Calleja: A model for homogeneous and inhomogeneous hard molecular fluids: ellipsoidal fluids [nematics, liquid crystals, LC, discrete orientations, equation of state] 1624 03 Cambridge: Nanotube mix makes liquid crystals. [LC, colloids, demixing] 439 97 Camp: Demixing in hard ellipsoid rod-plate mixtures [GEMC, constant pressure] 440 92 Canales: Computer simulation study of the bond-angle distributions and relative diffusion in liquids (Padro) [pair dynamics, PD] 441 91 Canales: Computer simulation study of relative diffusion in simple liquids [Padro, pair dynamics, PD, LJ, SD, GLD] 442 91 Candy: A symplectic integration algorithm for separable Hamiltonian functions [METH] 443 80 Cape: Soft sphere model for the crystal-liquid interface: A MD calculation of the surface stress (L.V.Woodcock) [AP] 444 93 Capek: Mori approach to exciton memories in initially unrelaxed exciton-phonon systems: direct and reorganized perturbation expansions [memory function, generalized master, exciton dynamics] 445 93b Capek: Interplay of exciton or electron transfer and relaxation: time-convolutionless generalized master equations [Mori, exciton dynamics, memory function, SD] 446 93c Capek: Impurity-band hopping Hall mobility revisited [stochastic Liouville, SD] 447 * Car: Unified approach for molecular dynamics and density-functional theory (M.Parrinello) [QM, MD, METH] 448 93 Car: The unified approach for molecular dynamics and density functional theory. In: Simple Molecular Systems at Very High Density. Polian et al. (eds.), Plenum 92-93; ZB 29408/B,186 (Car, Parrinello) [CP, METH] 449 89 Cardini: Structure and dynamics of carbon dioxide clusters: A MD study [AP, CD, CO2] 1659 05 Care: Computer simulation of liquid crystals. [review, Cleaver, nemato-dynamics] 1738 00 Care: Lattice Boltzmann nemato-dynamics. [LC,anisotropic] 450 71 Carley: Radial distribution functions for a binary mixture of gaussian molecules [KH] 451 75 Carley: Theoretical eqution of state for a high temperature Lennard- Jonnes gas [GL] 452 89 Carlson: Model Hamiltonians for atomic and molecular systems (J.W.Mosko witz, K.E.Schmidt) [QM] 453 83 Carmeli: Non-Markovian theory of activated rate processes. I. Formalism [GLE, SD, Zwanzig, Smoluchowski] 454 87 Carmesin: Mapping of quadrupolar to dipolar many particle systems [DP] 455 89 Carmesin: Stabilization of the orientational glass phase by cubic anisotropy [SO] 456 85 Carnevali: Image processing by simulated annealing (L.Coletti, S.Patarnello) [METH, SO] 457 89 Cartling: From short-time molecular dynamics to long time stochastic dynamics of proteins [SO, AP] 458 84 Casati: One-dimensional classical many-body system having a normal thermal conductivity [K-system, ding-a-ling, Ford, chaos] 12 * Casciati, F. (ed.): - Dynamic motion: chaotic and stochastic behaviour. CISM lecture 340. Springer 1993. ZB 31333/340 [Bontempi, Markov, Ito, Stratonovich, computation, Wiener, Fokker-Planck, stochastic differential calculus, master equations, Smoluchowski, Lyapunov] 13 * Castro de Oliveira, P. M.: - Computing Boolean Statistical Models ZB 35216 [bit-operations, lattice gas, Ising, Q2R, CA, NN, overview, CP-Prakt], [*] 459 78 Ceperley: Computer symulation of the dynamics of a single polymer chain (J.L.Lebovitz, M.H.Kalos) [CD] 460 80 Ceperley: Ground state of the electron gas by a stochastic method (B.J.Alder) [QM, QMC] 461 86 Ceperley: Quantum Monte Carlo [QM, MC, QMC, Alder, overview], [Linz 91] 462 88 Ceperley: The calculation of excited state properties with quantum Monte Carlo [QM, fermions, Linz 91] 463 92 Ceperley: Quantum Monte Carlo simulations of systems at high pressure, in: Polian et al. (eds.): Simple molecular systems at very high density, Plenum 92/93 (ZB 29408/B,186) [QMC] 464 96 Ceperley: Quantum Monte Carlo methods in chemistry [QM] 14 * Cercignani, Carlo: - Mathematical Methods in Kinetic Theory. ZB 35686 (1990) [collision operator, H-theorem, Maxwell molecules, Chapman-Enskog, ...] 1574 96 Chamoux Approximations for the direct correlation function in multicomponent molecular fluids. [dft, Rosenfeld, LC, nematic, Mayer] 1589 96 Chamoux: Approximations for the direct correlation function in multicomponent molecular fluids. [DCF, spherical harmonics, Wigner, Mayer, Rosenfeld, Perera, *] 1661 98 Chamoux: A theoretical study of the isotropic cut sphere fluids. overlap fluids. [LC, cubatic, nematic, PY, HNC] 465 78 Chan: On the theory of dipolar fluids and ion-dipole mixtures (C.J.Mitchel, B.W.Ninham, B.A.Paithorpe) [IP] 1651 97 Chance: The bivariate normal probability distribution. (Teaching note 97-05) [bivariate normal, Lennard-Jones Lines, LJL] 15 * Chandler, David: - Introduction to Modern Statistical Mechanics ZB 33286 [Nicht besonders] 466 70 Chandler: Equilibrium structure of simple liquids (J.D.Weeks) [AP] 467 72 Chandler: Optimized cluster expansions for classical fluids II. Theory of molecular liquids (H.C.Andersen) [GL] 468 73 Chandler: Derivation of an integral equation for pair correlation function in molecular fluids [GL] 469 75 Chandler: Rough hard sphere theory of the self-diffusion constant for molecular liquids [AP, GL] 470 77 Chandler: Comparisons of Monte Carlo and RISM calculations of pair correlation functions [AP, GL] 471 79 Chandler: Comment on the role of constraints on the conformational structure of n-butane in liquid solvents (B.J.Berne) [CD] 472 81 Chandler: Exploiting the isomorphism between quantum theory and classical statistical mechanics of polyatomic fluids [QM, PIMC] 473 91 Chandler: Theory of quantum processes in liquids. (In: Hansen et al., eds.: Les Houches LI, Liquides, Cristallisation et Transition Vitreuse) [PIMC, QMC] 1693 93 Chandler: Gaussian field model of fluids with an application to polymeric fluids. [PY, RISM] 474 * Chandra: The multiplane analyser (B.A.Dasannacharya) 475 43 Chandrasekhar: Stochastic problems in physics and astronomy. [SD] 16 * Chaos und Fraktale (Spektrum der Wiss Forschung ZB 31651 [St. Wolfram, K. Wilson, ..] 476 75 Chapela: Computer simulation of the gas/liquid surface (G.Saville, J.S.Rowlinson) [AP] 477 84 Chapela: Molecular dynamics for discontinuous potentials I. General method and simulation of hard polyatomic molecules (S.E.Martinez, J.Alejandre) [METH] 478 72 Chay: Density fluctuation in water and simple fluids (H.S.Frank) [GL] 479 70 Chen: Statistical mechanics of linear molecules. V. Pressure virial coefficients for the hard core model (W.A.Steele) [GL] 480 77 Chen: Molecular dynamic simulations of dense gases I. Test particle motion (A.Rahman) [AP] 481 91 Chen: Effect of long-range surface interactions on wetting transitions of polymer mixtures [] 482 94 Chen: Lattice Boltzmann fluid dynamics: a versatile tool for multiphase and other complicated flows [KH, METH] 483 73 Cheng: Investigation of a non random numerical method for multi- dimensional integration (H.H.Suzukawa, M.Wolfsberg) [METH] 484 * Cheung: The properties of liquid nitrogen IV. A computer simulation (J.G.Powles) [AP] 485 76 Cheung: On the efficient evaluation of torques and forces for anisotropic potentials in computer simulation of liquids composed of linear molecules [*] 486 77 Cheung: On the calculation of specific heats, thermal pressure coeficients and compressibilities in molecular dynamic simul. [AP] 17 * Chiarotti, G. F., Fumi, F., and Tosi, M - Current Trends in the Physics of Materials. Proc. of the International School of Physics "Enrico Fermi", Course CVI, 1988. North-Holland 1990. ZB 11039/106 [FK, auch Computer Simulation] 487 90 Chiccoli: A computer simulation of nematic droplets with radial boundary conditions [MC, polymer dispersed liquid crystals, Lebwohl-Lasher potential] 488 97 Cholewiak: Antiferroelectric smectic ordering of dipolar molecules from Monte Carlo simulations [MC, Gay-Berne, Dipolar] 489 02 Chong: Structural relaxation in a system of dumbbell molecules [glass] 490 03 Chong: Idealized glass transitions for a system of dumbbell molecules [mode coupling] 18 * Chow, ..: - Computational Fluid Dynamics [Methoden fuer Navier-Stokes-Gleichung,..] 491 76 Chow: Viscoelastic and inertia effects on the angular velocity autocrrelation function [SD, KH] 1668 01 Chrzanowska: Ordering of hard particles between walls. [Cleaver, HGO, overlap, MC, DFT] 492 69 Chung: Generalized hydrodynamics and time correlation functions (S. Yip) [AP, KH] 493 91 Chvosta: Exact solution of a stochastic dimer problem with single-site energy modulation [generalized master equation, Markov process, SD] 494 91b Chvosta: Mori approach to thermal conductivity in disturbed one-dimensional phonon systems [memory function, continued fraction, SD] 495 92 Chvosta: Spectral properties of linear chain with one-point dynamical disorder [exciton dynamics, Capek, SD, Markov] 496 75 Ciccotti: Direct computation of dynamical response by molecular dynamics The mobility of a charged Lennard-Jones particle (G.Jacucci) [AP] 497 76 Ciccotti: Transport properties of molten alkali halides (G.Jacucci, I.R.McDonald) [AP] 498 80 Ciccotti: Computer simulation of the generalized brownian motion I. The scalar case (J.P.Ryckaert) [SD] 499 81 Ciccotti: On the derivation of the generalized langevin equation for interacting brownian particles (J.P.Ryckaert) [KH, SD] 501 82 Ciccotti: Molecular dynamics of rigid systems in cartesian coordinates A general formulation (M.Ferrario, J.P.Ryckaert) [METH] 502 86 Ciccotti: Molecular dynamic simulation of rigid molecules (J.P.Ryckaert) [CD, METH] 503 92 Ciccotti: Theoretical foundation and rheological application of NEMD [METH] 504 89 Cichocki: Dynamic computer simulation of concentrated HS suspensions. Part I: Simulation technique and mean-squared displacement data. [PD, SD] 506 92 Cifra: Different surface profiles in surface demixing of polymer blends [polymer mixture, ML, MC, wetting, segregation] 505 04 Cinacchi: Entropic segregation in smectic phases of hard-body mixtures [Velasco, DFT, Parsons-Lee, hard spherocylinders, HSC] 1566 05 Cinacchi: Ordering of biaxial solutes in a smectic solvent [Zwanzig, spherocylinders, second virial theory] 1759 97 Clark: Conformation energy surface for liquid crystal molecules from first principles: Application to 5CB [MD, qm, dft] 507 72 Clarke: Light scattering form ionic liquids (L.V.Woodcock) [IP] 508 *73 Clarke: Computation and interpretation of the spectroscopic properties of liquids (L.V.Woodcock) 509 78 Clarke: Collision-induced polarizabilities of inert gas atoms (K.L.Clarke, P.A.Madden, A.D.Buckingham) [SO] 510 87 Clarke: The rheological properties of liquids composed of flexible chain molecules: A molecular dynamics computer simulation study (D.Brown) [AP] 511 93 Clarke: Structure and dynamics of binary clusters [Phase separation, demixing, coarsening] 512 94 Clarke: Structure of two-component clusters [demixing, phase separation, Lennard-Jones] 1590 05 Clausthal: Entmischung. Loeslichkeitskurve eines binaeren Systems mit Mischungsluecke. [demixing, binary, entropy] 513 95 Cleaver: The random anisotropy nematic spin model [Kralj, Liquid crystals, Phase transition] 1658 96 Cleaver: Extension and generalization of the Gay-Berne potential. [uniaxial, biaxial, Perram-White contact function, ellipsoids] 1669 01 Cleaver: Discontinuous structural transition in a thin hybrid liquid crystal film. [HGO, overlap, anchoring, Casimir] 514 86 Clifford: On the simulation of the Smoluchowski boundary condition and the interpolating Brownian paths [SD, BD, DLA, Brownian bridge, first passage] 515 90 Clydesdale: HABIT - a program for predicting the morphology of molecular crystals [SO] 516 93 Clydesdale: Computational studies of the morphology of molecular crystals through solid-state intermolecular force calculations using the atom-atom method [crystal growth, SO] 517 86 Coalson: On the connection between Fourier coefficient and discretized cartesian path integration [QM, PIMC] 518 76 Coffey: On the calculation of the dipole correlation function for a rigid rotator (A.Morita) [SD] 519 77 Coffey: On the calculation of orientational autocorrelation functions for simple models of molecular reorientation [SD] 520 * Coffey: On the calculation of orientational correlation functions for simple models of molecular reorientation in the presence of dipole-dipole interaction 525 78 Coffey: Experimental measure of the planar itinerant oscillator (G.J.Evans, M.Evans, G.H.Wegdam) [DE, SO] 526 80 Coffey: Inertial effects and dipole-dipole coupling [DE, SO] 528 82 Coffey: Inertial effects in the dielectric relaxation of an assembly of molecules containing rotating polar groups (C.Rybarsch, W.Schrod [SD, DE] 530 83 Coffey: On the brownian movement of a rotator and its application to nonlinear dielectric relaxation (C.Rybarsch, W.Schroder) [SD, DE] 534 89 Cohen de Lara MD by numerical simulatio [LJ], [Linz 91] 20 * Cohen, E G D: - Fundamental Problems in statistical mechanics ZB 12168 [Nijboer, Cohen, Van Hove, Van Kampen, Mazur] 531 88 Cohen: The fundamental physical constants (B.N.Taylor) [SO] 532 89 Cohen: Feedforward networks - a tutorial [NN, review, perceptron, backprop] 533 92 Cohen: New types of diffusion in lattice gas cellular automata In: Microscopic simulation of complex hydrodynamic phenomena; M. Marechal, B.L. Holian (eds.). Plenum 1992. [SD, KH, lattice gas, Lorentz gas] 535 87 Coker: Path integral Monte Carlo studies of the behavior of excess electrons in simple fluids (B.J.Berne, D.Thirumalai) [QM, PIMC, solvated electron] 536 73 Coldwell: Monte carlo evaluation of the partition function for a hard disk system [KH] 537 74 Coldwell: Correlation defects in the standard IBM 360 random number generator and the classical ideal gas correlation function [METH] 538 57 Cole: Induced polarization and dielectric constant of polar liquids [DP] 539 65 Cole: Correlation function theory of dielectric relaxation [DP] 540 73 Cole: Dipole correlation functions [DP] 541 86 Cole: Dynamics in polyatomic fluids: a kinetic theory approach [AP, KH, Evans] 542 83 Collin: Osiris: A Runge-Kutta solver of systems of ordinary differential equations [METH, ODE, RK, stiff, steif, Fehlberg] 543 80 Collings: The transport coefficients for polyatomic liquids (I.L.McLaughlin) [AP] 544 85 Colot: The freezing of hard spheres II. A search for structural (f.c.c-h.c.p.) phase transitions (M.Baus) [GL] 545 90 Colthup: The theoretical analysis of molecular vibrations In: Colthup et al. (eds.): Introd. to IR and Raman Spectroscopy, ZB 33709 [normal modes, internal coordinates, CHCl3] 546 88 Colvin: Maximally discretized molecular dynamics [Alder, long time tail, lattice gas] 547 89 Compagner: Collapsing systems [stability, MD, Hertel-Thirring model] 548 89a Compagner: Thermodynamics as the continuum limit of statistical mechanics [] 549 91 Compagner: The hierarchy of correlations in random binary sequences [stochastics, METH, MC] 550 91a Compagner: Definitions of randomness [stochastics, correlations, METH, MC] 19 * Computer-Theoretikum und -Praktikum f ZB 32018/x 551 67 Conroy: Molecular Schrodinger equation VIII. A new method for the evaluation of multidimensional integrals [METH] 21 * Cooper, Necia Grant: From cardinals to chaos Reflections on the life and legacy of Stanislaw Ulam. Cambridge U.P. 1989 ZB 14034 [Monte Carlo, discrete fluids, CA, solitons, nonlinear dynamics] 552 .. Cooper: The beginning of the MC method. In: Cooper, ed.: From Cardinals to Chaos. Reflections on the Life and Legacy of Stanislaw Ulam [SO, METH, Ulam, (solitons, Sine-Gordon)] 553 82 Corbin: Semiclassical molecular dynamics of wave packets (K.Singer) [METH, QM, WPD] 554 86 Corbin: Second virial coefficients and the simulation of equilibrium properties of liquid nitrogen using model potentials (A.R.Allnatt, W.J.Meath) [AP] 22 * Cordero, P., Nachtergaele,B., eds.: Nonlinear Phenomena in Fluids, Solids and other complex systems. (Proceedings, 2nd Latin American Workshop on Nonlinear Phenomena, Santiago, Chile, 1990. North-Holland 1991. ZB 33220/5 [sandpile, multifractals, Kramers, Hubbard model] 1591 02 Costa: Entropy and correlations in a fluid of hard spherocylinders: The onset of nematic and smectic order. [colloids, LC, MC, residual entropy, *] 1739 02 Costa: Entropy and correlations in a fluid of hard spherocylinders: The onset of nematic and smectic order. [LC,HSC,MC] 1603 74 Cotter: Hard-rod fluid: Scaled particle theory revisited. [scaled, spherocylinder, nematic, LC, SPT] 1604 77 Cotter: Hard spherocylinders in an anisotropic mean field: A simple model for a nematic liquid crystal. [scaled, spherocylinder, nematic, LC, SPT] 555 99 Crain: Simulating molecular properties of liquid crystals [Basics, order matrix, order parameter] 23 * Crandall, R. E.: Mathematica for the Sciences ZB 35397 [Einfuehrung, Beispiele, Comp. Phys., CP, Quantenmechanik, QM, nonlinear, nichtlinear, Solitonen, finite Differenzen, Chaos, FR, FFT, digital filters] 556 90 Crandall: The NeXT Computer as Physics Machine [METH, Computational Physics, Lehre] 557 74 Crawford: Hard-sphere melting model: Melting in argon [GL] 558 .. Crick: The genetic code [SO, evolution] 1570 89 Cuesta Isotropic-nematic transition of hard ellipses [Baus, dft, density functional, ellipsoids, ellipses] 1575 97 Cuesta Dimensional crossover of the fundamental measure functional for parallel hard cubes [dft, Rosenfeld, LC, nematic, parallel hard cylinders] 559 90 Cuesta: MC simulation of two-dimensional hard ellipses [Frenkel, liquid crystals, nematics] 1592 99 Cuesta: Demixing in a single-peak distributed polydisperse mixture of hard spheres. [demixing, Boublik, Mansoori, Carnahan, phase separation, LC] 1671 03 Cuetos: Liquid crystal behavior of the Kihara fluid. [LC, nematic, smectic] 560 72 Cukier: Rotational relaxation of molecules in fluids for reorientations of arbitrary angle (K.L.Lindenberg) [GL] 561 80 Cukier: Effect of static correlations on the pair friction coefficient [KH, PD] 562 82 Cummings: Interaction site models for molecular fluids (G.Stell) [AP] 563 88 Cummings: Nonequilibrium molecular dynamics calculation of the shear viscosity of liquid water (T.L.Varner) [AP, METH, NEMD, KH, Linz 91] 24 * Cushing: Applied Analytical Mathematics ZB 31130 564 ****** D ****** 565 .. Daly: Spacecraft-Plasma Interactions at Low Altitudes [SO, plasma, applications, PM] 566 70 Dandliker: Reconstruction of the three dimensional refractive index from scattered waves (K.Weiss) [SO] 567 93 Daresbury: Theory, Computational Science and Computing (Appendix to the Daresbury Annual Report 1992/93, ed. R. J. Allan [Diverse CCP-Gruppen; Projektbeschreibungen, METH] 568 93 Dasgupta: Numerical studies of phase transitions and critical phenomena in liquid crystals [MC, MD, Liquid crystals, Phase transitions] 569 74 Dashevsky: The solvation and hydrophobic interaction of non-polar molecules in water in the approximation of interatomic potential The monte carlo method (G.N.Sarkisov) [AP] 570 84 Dattagupta: Brownian motion of a quantum system [SD, QM] 571 97 Dattoli: Symmetric decomposition of exponential operators and evolution problems [Symplectic, Split, Operator] 25 * Davidor: Genetic Algorithms and Robotics A heuristic strategy for optimization ZB 41944/1 26 * Davidovic,M., Soper,A.K., eds.: Static and Dynamic Properties of Liquids ZB 29271/40 [Delft MD computer, wetting, RET, revised enskog theory] 27 * Davies, Brian: Exploring chaos / theory and experiment Perseus books ZB 36830/3 574 78 Davies: Non-markovian probability density functions with applications to itinerant oscillator models (M.W.Evans) [SD] 576 73 De Clerk: The sensitivity of macroscopic properties to details of the intermolecular potential (C.E.Cloete) [AP] 577 82 De Gennes: Kinetics of diffusion-controlled processes in dense polymer systems. I. Nonentangled regimes [KH, polymers] 578 83 De Gennes: Entangled polymers [SO, polymers] 579 71 De Graaf: Structure study of liquid neon by neutron diffraction [structure factor, radial distribution function, direct correlation] 583 77 De La Rubia: Modulos de elasticidad para fluidos Lennard-Jones y esferas blandas (L.F.Rull, J.Gomez) [AP] 584 78 De La Rubia: Functiones de correlation de equilibrio con varios potenciales (L.F.Rull, J.Gomez) [AP, GL] 585 88 De la Selva: Correlated random walks [first passage] 587 80 De Leeuw: Simulation of electrostatic systems in periodic boundary conditions. II. Equivalance of boundary conditions (J.W.Perram, E.R.Smith) [DP, METH] 588 81 De Leeuw: Perturbation theory of the dielectric constant (J.W.Perram, N.Quirke, E.R.Smith) [AP, DP] 589 84 De Leeuw: Dielectric behavior and multibody orientational correlations of dipolar molecular liquids (N.Quirke) [AP, DP] 590 86 De Leeuw: Computer simulation of the static dielectric constant of system s with permanent electric dipoles (J.W.Perram, E.R.Smith) [DP] 591 90 De Leeuw: Structure and dynamics of supercooled fluids [MD, LJ, AP, Glas] 597 93 De Luca: MD simulations of discotic liquid crystals using a hybrid Gay-Berne Luckhurst-Romano potential [nematic] 1707 06 de Michele: Molecular correlation functions for uniaxial ellipsoids in the isotropic state. [Scala, EDMD, PY, structure factor, LC, nematic] 598 90 De Miguel: Liquid-vapour coexistence of the Gay-Berne fluid by Gibbs-ensemble simulation [GB, nematics, liquid crystals] 599 91 De Miguel: Liquid crystal phase diagram of the Gay-Berne fluid [mit Gubbins, MD, MC, Gaussian overlap, truncated, WCA, *] 600 91a De Miguel: Effect of molecular elongation on liquid-vapour properties: computer simulation and viral approximation [GB, Gay-Berne, nematics, liquid crystals] 601 91b De Miguel: Location of the isotropic-nematic transition in the Gay-Berne model [GB, nematics, liquid crystals] 602 93 De Miguel: System-size effects at the isotropic-nematic transition from computer simulation [MD, Gay-Berne, GB, liquid crystal, *] 1657 * de Miguel: Phase equilibria of model ternary mixtures: theory and computer simulation. [amphiphile, mean field, MC, Gibbs MC, GEMC] 1660 01 de Miguel: The isotropic-nematic transition in hard Gaussian overlap fluids. [LC, HGO, hard ellipsoids, Gibbs-Duhem, GEMC] 1754 02 De Miguel: The global phase diagram of the Gay-Berne model. [LC, Vega, NPT, Gibbs-Duhem] 1760 96 De Miguel: Effect of the attractive interactions on the phase behavior of the Gay-Berne liquid crystal model. [Allen, GB, LC] 1585 99 de Pablo Simulation of phase transitions in fluids [semigrand, MC, expanded ensemble, tempering, histogram reweighting] 1568 89 de Pablo: Phase equilibria for fluid mixtures from Monte Carlo simulation. [GEMC, Gibbs ensemble, TIP4P, water, hydrocarbons] 1636 92 De Pablo: Simulation of polyethylene above and below the melting point. [polymers, METH, MC, NPT] 604 89 De Pristo: Molecular dynamics simulations of energy flow at a solid surface New method using a small number of atoms (H.Metiu) [SD, METH] 605 84 De Raedt: Computer simulation of muonium in water (M.Sprik, M.L.Klein) [ML, PIMC, QM] 607 76 de Schepper: Long time expansion of 2-dimensional correlation functions (I.M.de Schepper, M.H.Ernst) [KH, density expansion, transport properties] 608 88 de Schepper: Hydrodynamic time correlation functions for a Lennard-Jones fluid [KH] 609 74 de Schepper: The nonexistence of the linear diffusion equation beyond Fick's law (de Sch., van Beijeren, Ernst) [KH] 610 81 de Schepper: The incoherent scattering function and related correlation functions in hard sphere fluids at short times [KH, HS, Enskog] 613 89 De Witt: Path-integral solutions of wave equations with dissipation [QM] 575 82 Dean: On the role of attractive forces in the cage effect in simple liquids (J.N.Kushick) [SO] 580 89 Deitrick: Efficient molecular simulation of chemical potentials [Widom, Gubbins, METH, GL] 581 92 Deitrick: Efficient test molecule sampling in molecular simulation [excluded volume map sampling, EVMS, METH] 1633 96 Del Rio: Wetting and interfacial order at nematic free surfaces. [DFT, wetting, nematic, 8CB] 582 79 Delalande: A semiclassical model for vibrational energy relaxation in simple liquids and compressed fluids (G.M.Gale) [SO] 592 95 Dellago: Lyapunov exponents of systems with elastic hard collisions [Lorentz gas, cell model, Posch, Sinai billiard] 593 96 Dellago: Lyapunov instability in a system of hard disks in equilibrium and nonequilibrium steady states [Posch, Chaos, FR] 594 98 Dellago: Transition path sampling and the calculation of rate constants [Chandler, rare events] 595 01 Dellago: Transition path sampling [Bolhuis, Geissler, reactive] 596 03 Dellago: Simulation strategies and signatures of chaos in classical nonlinear response [Lorentz gas, Mukamel] 1617 98B Dellago: Efficient transition path sampling: Application to Lennard-Jones cluster rearrangements. [transition path ensemble, Chandler, isomerization] 1618 98C Dellago: On the calculation of reaction rate constants in the transition path ensemble. [Chandler, WCA, METH] 603 90 Denby: Spatial pattern recognition in a high energy particle detector using a neural network algorithm (L.Linn) [METH, NN] 606 88 Desai: Finite size scaling in a microcanonical ensamble (D.W.Hermann, K.Binder) [GL] 611 89 Desoyer: Recursive formulation for the analytical or numerical application of the Gibbs-Appell method to the dynamics of robots [robotics] 612 71 Deutch: Molecular theory of brownian motion for several particles (I.Oppenheim) [SD] 28 * Diacu: Celesial encounters The origins of chaos and stability 614 79 Dickerson: Chemische Evolution und der Ursprung des Lebens [SO] 615 85 Dickinson: Brownian dynamics with hydrodynamics interactions: The application to protein diffusional problems [SD] 616 98 Dijkstra: Phase Behavior and Structure of Binary Hard-Sphere Mixtures [depletion potential] 1593 97 Dijkstra: Entropy-driven demixing in binary hard-core mixtrues: From hard spherocylinders towards hard spheres. [GEMC, LC, colloids] 1742 01 Dijkstra: Wetting and capillary nematization of a hard-rod fluid: A simulation study. [HSC,MC,LC,wall,GEMC,anchoring,Zwanzig model] 29 * Diu, Guthman, Lederer, Roulet: Grundlagen der Statistischen Physik De Gruyter 1994 ZB 37716 [scheint gut zu sein] 617 73 Dixon: Sciwrite [SO] 30 * Dnestrovskii,Y.N., Kostomarov,D.P.: Numerical Simulation of plasmas ZB 31314 [MHD, Tokamak, controlled fusion] 618 84 Dodson: Stability of registry in strained-layer superlattice interfaces [epitax, directional LJ] 1583 ** Dogic Fluctuations and defects in quasi 2D smectic phases [Web, colloids, LC, smectic] 619 00 Dogic: Enhanced stability of layered phases in parallel hard spherocylinders due to addition of hard spheres [Frenkel, microphase separation, rods and spheres, hard body, Koda theory] 620 87 Doll: Toward a monte carlo theory of quantum dynamics (R.D.Coalson, D.L.Freeman) 1746 05A Donev: Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles. I. Algorithmic details. [Stillinger,EDMD] 1747 05B Donev: Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles. II. Applications to ellipses and ellipsoids. [Stillinger,EDMD] 621 90 Dong: Non-Markovian effect on diffusion-controlled reactions [reactions, SD, PD] 622 .. Dong: Diffusion-controlled reactions. I. MD simulation of a non-continuum model [PD, reactions] 31 * Doolen,G.D., Frisch,U., Hasslacher,B., - Lattice gas methods for partial differential equations ZB 33211/4 32 * Dore, John C., Texeira, Jose: - Hydrogen-Bonded Liquids ZB 29408/C229 [NATO/EMLG-Tagung Portugal 1991] 627 88 Dorffner: Cascaded associative networks for complex learning tasks [AI, NN] 624 70 Dorfman: Velocity correlation functions in two and three dimensions (J.R.Dorfman, E.G.D.Cohen) [KH, hard spheres, hard disks, transport properties, density expansion, long-time tail, asymptotic] 625 72 Dorfman: Velocity-correlation functions in two and three dimensions: Low density [KH, long-time tail] 626 75 Dorfman: Velocity correlation functions in two and three dimensions II. Higher density (E.G.D.Cohen) [KH long-time tail, Enskog] 33 * Dorfmueller, Th., ed.: - Reactive and Flexible Molecules in Liquids ZB 29408/C291 [Steele, Bratos, Moro: Xeroxbibliothek] [relative motion, pair dynamics, rate processes] 628 90 Dory: Neural networks [NN, spreadsheets] 34 * Drazin, P. G., und Johnson, R. S.: - Solitons: an introduction ZB 33584/1 [Sine-Gordon, Korteweg-de Vries] 629 92 Dresselhaus: Graphite fibers and filaments /Mechanical properties (In: Dresselhaus et al., eds.: Graphite Fibers and Filaments, Springer 1992, ZB ...) [TOWER, ExPAN, carbon fibers] 630 00 Dreyfus-Lambez Strength of memory-induced anchoring of 5CB on bare untreated ITO [poster] 631 68 Dubner: Numerical inversion of Laplace transforms by relating them to the finite Fourier cosine transform (J.Abate) [METH] 1594 02 DuBois: Entropy driven demixing in fluids of rigidly ordered particles. [DFT, Rosenfeld, scaled, DCF, Perera] 632 83 Dufty: Nonlinear diffusion and mode coupling anomalies [KH] 635 85 Dufty: Electric field distributions in strongly couped plasmas (D.B.Boercker, C.A.Iglesias) [SO] 636 89 Dunbar: Infrared radiative cooling of isolated polyatomic molecules [SO] 637 86 Dygas: A singular perturbation approach to non-markovian escape rate problems with state dependent friction (B.J.Matkowsky, Z.Schuss) [SD] 638 74 Dymond: Corrected Enskog theory and the transport coefficients of liquids [KH] 639 ****** E ****** 640 74 Eagles: Rotational diffusion of spherical top molecules in liquids and gases. IV. Semiclassical theory and applications to the V3 and V4 band shapes of methane in high pressure gas mixtures (R.E.D.McClung) [KH] 1695 80 Ebner: Nonumiform one-dimensional classical fluids: Theory versus Monte Carlo experiments. [DFT, density functional] 641 89 Eckmiller: Neural control of intelligent robots [NN, robotics] 35 * Eckstein, W.: - Computer Simulation of Ion-Solid Interactions ZB 31919/10 [Methoden, Potentiale] 642 80 Eder: The velocity autocorrelation function in a dilute hard sphere gas mixture (B.Kunsch, T.Lackner) [AP] 643 68 Einwohner: Molecular dynamics VI. Free path distributions and collision rates for hard sphere and square well molecules (T.Einwohner) [AP, KH] 644 94 Elliott: Fast multipole algorithm for the Lennard-Jones potential [FMA, LJ, MD, molecular dynamics, MT] 645 94 Emerson: Computer simulation studies of anisotropic systems XXIII The Gay-Berne discogen [nematics, GB, Luckhurst, liquid crystals] 1741 97 Emerson: Monte Carlo simulation of the nematic-vapour interface for a Gay-Berne liquid crystal. [LC,GB,MC,film,wetting] 647 92 Emsley: Computer simulation studies of the dependence on density of the orientational order in nematic liquid crystals [MD, Gay-Berne, gaussian overlap, METH] 646 02 Enright: Animation and rendering of complex water surfaces [METH, HYDR, Paracelsus, CP] 648 78 Ermak: Brownian dynamics with hydrodynamic interactions (J.A.McCammon) [SD] 649 80 Ermak: Numerical integration of the Langevin equation: Monte Carlo simulation (H.Buckholz) [SD, BD, METH, MC] 650 70 Ernst: Asymptotic Time Behavior of Correlation Functions [kinetische Theorie, KH] 651 71 Ernst: Asymptotic time behavior of correlation functions. I. Kinetic terms (M.H.Ernst, E.H.Hauge, J.M.J.van Leeuwen) [KH, transport properties, long time tail, MD] 652 84 Ernst: Exact solutions of the nonlinear Boltzmann equation [KH] 653 88 Ernst: Random walks with short memory [persistent, SD, BD] 654 91 Ernst: Statistical mechanics of the cellular automata fluid [CA, lattice gas, KH, Navier-Stokes, HPP, FHP] 655 87 Erpenbeck: Comparision of Green-Kubo and nonequilibrium calculations of the self-diffusion constant of a Lennard-Jones fluid [METH] 656 85 Errera: Les effects des radiations nuclearies a faibles doses [SO] 1689 02 Espanol: Dissipative particle dynamics revisited. [DPD, smoothed] 1690 ** Espanol: Dissipative particle dynamics and other fluid particle models. [DPD, SPH, smoothed] 657 94 Esposito: Isotropic, nematic and smectic A phases in fluids of hard spherocylinders [Evans, Onsager, density functional, DFT] 658 93 Esselink: Efficient parallel implementation of MD on a toroidal network. Part I. Parallelizing strategy. ****** Part II Multi-particle potentials. [METH, non-additive] 1621 95 Esselink: Parallel Monte Carlo simulations. [MC, METH, Smit, parallel] 1595 04 Esztermann: Density functional theory for sphere-needle mixtures: Toward finite rod thickness. [DFT, Rosenfeld, spherocylinders, Mayer, Schmidt] 659 75 Etters: Thermodynamic properties of small aggregates of rare gase atoms (J.Kaelberer) [AP] 660 78 Evans D: The frequency dependent shear viscosity of methane [METH] 661 79 Evans D: The frequency dependent shear viscosity of methane [AP, METH] 664 81 Evans D: Rheological properties of simple fluids by computer simulation [METH] 665 83 Evans D: Nonequilibrium molecular dynamics via Gauss principle of least constraint (W.G.Hoover, B.H.Failor, B.Moran, A.J.C.Ladd) [METH, CD, CD, NEMD, isokinetic] 667 84 Evans D: Non-Newtonian MD (G.P.Morriss) [METH, NEMD] 668 85 Evans D: Flows far from equilibrium via molecular dynamics (W.G.Hoover) [CD, METH, NEMD] 669 86 Evans D: Response theory as a free energy extremum [KH] 670 ** Evans D: The Nose-Hoover thermostat (B.L.Holian) [CD, METH, Nose] 671 87 Evans D: Nonequilibrium molecular dynamics [METH] 672 91 Evans D: Possible variational principle for steady states far from equilibrium [NEMD, constraints, minimum entropy production] 673 80 Evans G: Brownian dynamics simulation of alkane chain reorientation: A comparison of models (D.C.Knauss) [AP, CD, SD] 675 77 Evans G: Orientational relaxation of a Fokker-Planck fluid of symmetric top molecules [SD, SO] 676 78 Evans G: Orientational time correlation functions for the J and M diffusion models [KH] 677 87 Evans G: A simple model for transport, reactive and equilibrium properties in polyatomic fluids [KH, GL] 678 88 Evans G: Translational and rotational dynamics of simple dense fluids [KH] 679 89 Evans G: Dynamics of pair diffusion in hard sphere fluids (G.T.Evans, B.Kumar) [KH, PD] 674 86 Evans GT: Pair diffusion at close range in liquids [PD, reactions] 680 89 EVANS GT: Rotational dynamics in simple dense fluids [PD, recollision] 681 84 Evans J: Competing irreversible cooperative reactions on polymer chains (D.K.Hoffman, D.R.Burgess) [CD, AP] 682 81 Evans M: Molecular dynamic simulation of induced anisotropy. I. Equilibrium properties [AP, SD] 685 82 Evans M: Computer simulation of liquid anisotropy III. Dispersion of the induced birefringence with a strong alternating field. [AP] 687 87 Evans M: Molecular dynamic simulation of water CCl4 mixtures [AP, ML] 688 88 Evans M: Molecular dynamic simulation of liquid and gaseous hydrogen selenide: cross correlation functions (G.C.Lie, E.Clementi) [AP] 689 92 Evans R: Density functionals in the theory of nonuniform fluids [DFT, synopsis] 686 82 Evans W.A: The computer simulation of the dielectric properties of polar liquids. The dielectric constant and relaxation of liquid hydrogene chloride (J.Powles) [DP] 36 * Evans, Morriss: - Statistical Mechanics of Nonequilibrium Liquids ZB 24157/11 [linear response, Lagrange, Hamilton, Gauss, Mori-Zwanzig, Kubo, NEMD, synthetic MD, Norton-Thevenin, TTCF, *] 1777 57 Evans: The particle-in-cell method for hydrodynamic calculations. [PIC, Harlow] 690 ****** F ****** 691 57 Fabelinskii: Certain problems of molecular scattering of light in liquid [SO] 692 94 Facheux: Confined Brownian motion [Libchaber, SO] 693 94 Faetti: Resummation of higher order terms in the free energy density of nematic liquid crystals [surface, K13, Pergamenshchik] 694 98 Fahy: Onset of chaos in a pendulum coupled to a thermal environment 696 67 Fatuzzo: A calculation of the complex dielectric constant of a polar liquid by the librating molecule method (P.R.Mason) [DP] 697 86 Fazarinc: A viewpoint on calculus [SO] 698 .. Feder: Fractals (Exzerpt) [FR, long-term dependence (simulation), SD, fractional Brownian motion, BD, fractal surfaces] 699 70 Fehder: Anomalies in the radial distribution functions for simple liquids 700 71 Fehder: Microscopic mechanism for self diffusion and relative diffusion in simple liquids (C.A.Emeis, R.P.Futrelle) [PD] 701 78 Felderhof: Fluctuation theorems for dielectrics [DP] 705 82 Felderhof: Dielectric friction on a polar molecule rotating in a fluid [DP] 706 78 Ferrario: The non-markovian relaxation process as a contraction of a multidimensional one of markovian type (P.Grigolini) [SD] 707 79 Ferrario: A generalization of the Kubo-Freed relaxation theory (P.Grigol.) [SD] 708 68 Ferrell: Spectrum of light doubly scattered by an opalescent fluid [SO] 709 91 Ferrenberg: Histogram techniques for studying phase transitions. In: Landau, Mon, Schttler (eds.): Computer simulation studies in Condensed Matter Physics III. Springer 1991. ZB 29271/53 [MC, METH] 710 77 Few: Equation of state for systems of soft diatomic molecules (M.Rigby) [AP, GL] 711 65 Feynman: Chapter 2 aus: Feynaman-Hibbs: Quantum Mechanics and Path Integrals [QM] 712 66 Feynman: The development of the space-time view of quantum electro= dynamics [QM] 714 ** FFT: An algorithm for computing the DFT [METH] 715 00 Filinov: Quantum dynamics in Wigner representation [QM, METH] 716 81 Fincham: Molecular dynamics simulation using the cray1 vector procesing computer (B.J.Ralson) [METH] 717 .. Fincham: Recent advances in MD computer simulations [Toxvaerd, link cells, NVT, NVP, NEMD, METH] 87 Fincher: Experimental test of induced rigidity (C.R.Gochanour) [polymers] 718 75 Finsy: Dielectric relaxation in 1,1,1-trichloroethane/cyclohexane solutions (R.Van Loon) [DP] 719 76 Finsy: The significant determination of the permanent dipole moment of a solute in solution (R.Van Loon) [DP] 720 ** Fischer: Perturbation theory for molecular liquids: Thermodynamic properties of a reference system [AP] 721 79 Fischer: Structure of molecular liquids. Reference systems with spherical interactions (N.Quirke) [AP] 722 80 Fischer: Born-Green-Yvon approach to the local densities of a fluid at interfaces (M.Methfessel) [KH] 723 86 Fischer: The Haar-Shenker-Kohler equation. A fundamental equation of state for gases (M.Bohn) [GL] 724 72 Fisher: Calculated self-diffusion coefficients for liquid argon (R.O.Watts) [AP] 725 89 Fisher: Theory of random magnets (G.M.Grinstein, A.Khurana) [SO] 726 55 Fixman: Molecular theory of light scattering [METH] 727 74 Fixman: Classical statistical mechanics of constrains: A theorem and application to polymers [CD, freely jointed chain/metric determinant] 729 78 Fixman: Simulation of polymer dynamics II. Relaxation rates and dynamic viscosity [CD] 730 81 Fixman: Inclusion of hydrodynamic interaction in polymer dynamical simulations [SD, AP] 731 83 Fixman: Direct simulation of the chemical potential [METH] 733 88 Flamm: Das Realitatsproblem in der Quantenmechanik [SO] 734 91 Flamm: Neueres zur Interpretation der Quantenmechanik [overview, SO] 735 95 Flamm: Limiting processes of mathematical physics and the real world [overview, SO] 736 67 Fleck: Ein MC-Programm fr den zeitabhaengigen Neutronentransport eines thermischen Pulses in Leichtwasser [SO, Monte Carlo, Hejtmanek] 737 89 Fleischmann: Electrochemically induced nuclear fusion of deuterium [SO] 738 90 Fleming: Chemical dynamics in solution [reactions, Grote-Hynes, Kramers] 38 * Fletcher, C. A. J.: - Computational Galerkin Methods ZB 31314 [Finite Elemente, Randwertproblem, PDGL] 740 69 Fleury: Effects of molecular interactions on light scattering by simple fluids (J.P.McTague) [SO] 741 74 Flinn: Monte Carlo calculation of phase separation in a two- -dimensional Ising system [Sinter, sinter] 742 75 Flytzani: Thermodynamics of mixtures of non-spherical molecules II. Strong polar, quadrupol, and overlap forces (K.E.Gubbins, C.G.Gray) [AP] 743 89 Flyvbjerg: Error estimates on averages of correlated data [METH, statistics, blocking] 744 35 Fock: Zur Theorie des Wasserstoffatoms [HF, QM, Hartree-Fock, Formfaktoren, Quantenchemie] 745 91 Fogedby: Fluctuations in a Levy flight gas [ideal Brownian gas, BD, FR, Hurst exponent] 746 88 Foidl: Velocity dependent invariants for hard particles in one dimension [Tonks, chaos, billiard, Kasperkovitz] 747 86 Fois: Monte carlo studies of aqueous solution of nitrogen using different potential energy surfaces (A.Gamba, G.Morosi, P.Demontis, G.B.Suffritti) [AP, ML, MC] 748 89 Fontana: Physical aspects of evolutionary optimization and adaptation (W.Schnabl, P.Schuster) [METH] 749 88 Ford: Quantum chaos - is there any? In: Bai-Lin, ed.: Directions in Chaos [SO, complexity, chaos] 39 * Fosdick, Howard: - VM/CMS Handbook ZB 33059/[1] 750 76 Fox: The thermodynamic cuboctahedron [Maxwell square, chemical potential, mnemonic, Pate] 751 88 Fox: Fast, accurate algorithm for numerical simulation of exponentially correlated colored noise [??] 752 04 Fragner 04: Monte Carlo Analyse mit Ganzzahlenarithmetik [METH, MC, Verlet] 753 04a Fragner 04A: Ein Parameter fuer MC Effizienz [LJ, METH, Monte Carlo] 754 *66 Frank: .......biography..... [SO] 755 85 Frauenfelder: Rate theories and puzzles of hemeprotein kinetics [reactions, Kramers, Grote-Hynes, PD] 756 75 Freasier: Isotropic hard core dumbell fluid: eqation of state [GL, AP] 757 76 Freasier: Hard dumbells: monte carlo pressures and virial coefficients (D.Jolly, R.J.Bearman) [AP] 758 79 Freasier: Ergodic collision theory of intermolecular energy transfer. II. Quantum effects in the harmonic approximation (D.L.Jolly, S.Nordholm) 759 78 Freasier: Ergodic collision theory of intermolecular energy transfer. III The deactivation of bromine in argon (D.L.Jolly, S.Nordholm) 760 84 Freeman: A monte carlo method for quantum boltzmann statistical mechanics using Fourier representations of path integerals [METH] 761 77 Frenkel: Anisotropic density fluctuations in argon at different densities: Far infrared measurements and molecular dynamic calculations [rotational line broadening, MD, neutron scattering] 762 87 Frenkel: Computer simulation of hard core models for liquid crystals [METH, simple models, AP, hard ellipsoids, spherocylinders] 763 89 Frenkel: Columnar ordering as an excluded volume effect [liquid crystals, nematics, MC] 764 90 Frenkel: Long-time decay of velocity autocorrelation function of two-dimensional lattice gas cellular automata [CA, long time tail, asymptotic] 766 91 Frenkel: Novel scheme to study structural and thermal properties of continuously deformable molecules [chemical potential, chain molecules, Siepmann, configurational bias] 1616 ** Frenkel: Homogeneous and heterogeneous nucleation in complex liquids. [LC, phase transitions, mixtures, order, overview] 1699 83 Frenkel: Molecular dynamics study of the dynamical properties of an assembly of infinitely thin hard rods. [METH, event driven, EDND, DMD] 1763 04 Frenkel: Speed-up of Monte Carlo suimulations by sampling of rejected states. [MC, garbage] 767 .. Friedman: Kinetic Theory, aus: Statistical Mechanics [BBKY, Evans G.T., Vlasov, Boltzmann, Langevin, KH, Zwanzig Jhon, Sung-Dahler, Liouville] 40 * Fu, K. S., Gonzales, R. C., and Lee, C. - Robotics / Control, Sensing, Vision and Intelligence McGraw-Hill 1987 768 ****** G ****** 1778 65 Gage: Three-dimensional Cartesian particle-in-cell calculations. [PIC] 769 94 Galassi: Phase diagrams of diatomic molecules using the Gibbs ensemble Monte Carlo method [Tildesley, Zeidler, LJ, dumbbells] 770 90 Galli: Ab initio MD simulation of molten KSi [CP, Car-Parrinello, density functional MD, Zintl ions] 771 90b Galli: Ab initio calculation of properties of carbon in the amorphous and liquid states [CP, Car-Parrinello, density functional, Nose-thermostat, pseudopotential] 772 90c Galli: Melting of diamond at high pressure [Car, CP, carbon] 773 89 Galvez: Computer simulations of finite plasma streams convected across a magnetized vacuum [METH, plasma, PIC-method] 1688 02 Garboczi: Three-dimensional mathematical analysis of particle shape using X-ray tomography and spherical harmonics: Application to aggregates used in concrete. [LC, METH] 774 94 Garcia: Physics for Computer Science Students (Auszuege) [ZB 28808, classical free electron model, solid state, semiconductors, Fermi-Dirac, Bloch theorem, tight binding] 775 97 Garcia: Direct simulation Monte Carlo: Novel applications and new extensions [DSMC, nonlinear Boltzmann equation] 41 * Gardiner, C. W.: - Handbook of stochastic methods. Springer 1990. ZB 28782 [Bontempi, Ito, Stratonovich, computation, Wiener, Fokker-Planck, stochastic differential calculus, master equations, Smoluchowski, SD, Markov, Lyapunov] 42 * Garrido, Luis (ed.): - Statistical Mechanics of neural networks ZB 23643/368 [Proceedings, Sitges, 1990, overview] 776 89 Gartrell-Mills: MC simulation of molten CsCl using a 'deformation dipole' polarizable ion potential [polarisable dipoles, shell model] 777 99 Garzon: Monte Carlo simulations of dipolar and quadrupolar linear Kihara fluids. A test of thermodynamic perturbation theory [Lago, Vega, Boublik, MC] 1640 94 Garzon: Computer simulation of vapor-liquid equilibria of linear quadrupole fluids. Departure from the principle of corresponding states. [De Miguel, Kihara, GEMC] 778 80 Gaskell: Momentum transfer and cooperative effects in liquids [KH, PD] 779 81 Gaskell: Atomic dynamics and momentum transfer in dense liquids [KH, PD] 780 89 Gaskell: Atomic transport in liquids [review, Vallauri, transport coefficients, mode coupling, hard spheres, KH] 781 85 Gates: Stuperspace [SO] 782 .. Gauss: Ueber ein neues allgemeines Grundgesetz der Mechanik [kleinste Wirkung, Zwangskraefte, constraint dynamics, Hoover] 783 84 Gaveau: Relativistic extension of the analogy between quantum mechanics and Brownian Motion [QM] 784 81 Gay: Modification of the overlap potential to mimic a linear site-site potential (Gay-Berne) [Gaussian overlap] 785 66 Gear: The numerical integration of ordinary differential equations of various orders [METH, algorithms] 786 92 Geiger: MD simulation studies of the hydrogen bond network in water In: Dore, Texeira (eds.): Hydrogen-bonded liquids. ZB 29408/c229 1619 ** Geissler: Chemical dynamics of the protonated water trimer. [Dellago, METH, proton transfer] 1576 97 Gelb The resolution of the Gibbs phenomenon for spherical harmonics [kugelflaechenfunktionen] 1654 01 Genz: Bivariate normal probabilities. [bivariate normal, Lennard-Jones Lines, LJL] 787 .. Gershenfeld: An experimentalist's introduction to the observation of dynamical systems [FR, Ljapunov, Lit, Takens] 788 89 Gertner: Nonequilibrium solvation effects on reaction rates for model Sn2 reactions in water [SD, solvation, Grote-Hynes theory, Kramers, GLE] [*] 789 99 Gezelter: Calculation of the hopping rate for diffusion in molecular liquids: CS2 [Zeidler, cage correlations, Zwanzig] 790 87 Ghazi: The structure of hard spherocylinder fluids [MC, nematics, liquid crystals, Kabadi-Steele] 791 89 Given: MD and Rayleigh-Benard convection [METH, KH], [Linz 91] 792 93 Glaser: Melting and liquid structure in two dimensions. In: Adv. Chem. Phys. LXXXIII, 1993. [Phase transitions, density functional theory, DFT, Voronoi, HD, hard disks, dense random packing] 793 03 Gloth: An object-oriented finite volume framework and its application to fluid dynamics problems [METH, HYDR, Paracelsus] 795 89 Gorecki: MD simulation of a chemical reaction [reactions] 796 73 Gosling: On the calculation by molecular dynamics of the shear viscosity of a simple fluid [Singer, NEMD, LJ] 797 76 Gottlieb: A MD calculation to confirm the incorrectness of the random walk distribution for describing the Kramers freely jointed bead-rod chain [CD, Jacobian, metric tensor] 47 * Gould, H., Spornick, L., Tobochnik, J.: - Thermal and Statistical Physics Simulations ZB 38066/[1] [**, CUPS, good for 3rd term, quantum gas, demon alg., ... ] 45 * Gould, H., Tobochnik, J,: - An Introduction to Computer Simulation Methods ZB 38610 [***, everything, plus Demon MC, Genetic Algorithms, Parallel Fortran, Intro to 44 * Gould, H., Tobochnik, J.: - Computer simulation methods (I,II) ZB 11875 [CP] 46 * Gould, Harvey; Spornick, Lynna; Tobochn - Thermal and Statistical Physics Simulations The consortium for Upper-Level Physics Software John Wiley and Sons, INC. ZB 38066/1 794 90 Gould: More on Fractals and Chaos: Multifractals [FR] 798 88 Grabert: Escape from a metastable well: The Kramers turnover problem [SD, rate processes, PD, normal modes, barrier, rare events] 799 99 Graf: Density functional theory for hard spherocylinders: phase transitions in the bulk and in the presence of external fields [DFT, HSC, weighted density, WDA] 48 * Gramss, Bornholt, Gross et al.: - Non-Standard Computation ZB 041731 [* molecular computation, cellular automata, evolutionary, genetic, quantum comp 49 * Grasman, J.; van Herwaarden, O.A.: - Asymptotic Methods for the Fokker-Planck Equation and the Exit Problem in Applications Springer ZB 28782 [SD, Langevin, Ito, Markov, Stochastic] 50 * Gray, : - Exploring Mathematics with Mathematica ZB 35611 800 89 Gray: Computer simulation of depolarized light scattering from diatoms with hard core and square well interactions at low temperatures [CILS, nucleation] 801 94 Gray: Symplectic integrators for large scale molecular dynamics simulations: A comparision of several explicit methods [Symplectic, METH, MD] 802 90 Greengard: The Numerical Solution of the N-Body Problem [METH, overview, hierarchical codes, tree, fast multipole method, FMM] 43 * Greiner: - Theoretische Physik (Reihe) (ca. 40 DM/Band) 803 89 Grest: Vectorized link cell FORTRAN code for MD simulations for a large number of particles [METH, Verlet, neighborhood tables, layering algorithm], [Linz 91] 804 85 Grest: Computer simulation of grain growth - IV. Anisotropic grain boundary energies [Srolovitz, sinter, MC] 805 92 Grill: Self-consistent calculation of hole mobilities in narrow-gap Hg0.8Cd0.2Te [semiconductors, Kadanoff-Baym equ.] 806 04 Grill: One-dimensional falling bodies [Tutschka, Tonks] 807 78 Grosse: Lower bounds to the energy levels of atomic and molecular systems [Thirring, Thomas-Fermi, stability of matter] 808 93 Grosse: Schwinger terms and cyclic cohomology for massive 1+1 dimensional fermions and Virasoro algebras [Reitberger, anomalies] 809 93a Grosse: Electromagnetic, gravitational and thermal U(1) algebras [Reitberger] 810 94 Grosse: Can Anomalies Melt? [Reitberger, QM] 811 94a Grosse: On spin chains, charges and anomalies [Reitberger, temperature effects] 812 82 Grote: Energy diffusion-controlled reactions in solution [Grote-Hynes, SD, PD, reactions, barrier crossing, Kramers, Zwanzig] 813 92 Gruebl: Fermion Number Creation via Electromagnetism [Reitberger, SO] 1628 97 Gruhn: Microscopic structure of molecularly thin confined liquid crystal films. [LC, GB, GCMC, film] 1629 98B Gruhn: Substrate-induced order in confined nematic liquid crystal films. [LC, GB, GCMC, film, nematic, phase transition] 1630 98 Gruhn: A grand canonical ensemble Monte Carlo study of confined planar and homeotropically anchored Gay-Berne films. [LC, GB, GCMC, film, smectic] 814 94 Gruszka: Spectral moments of collision-induced absorption of CO2 pairs: The role of the intermolecular potential [CILS, carbon dioxide] 816 86 Guardia: Nonadditivity effects in generalized Langevin dynamics simulation of interacting particles [SD, memory functions] 51 * Gubernatis, J. E. (Ed.): - The Monte Carlo method in the physical sciences ZB 028523/690 (2003) [Gubernatis, Rosenbluth, Wood, Swendsen, Creutz, Binder, Dellago, Landau] [Metropolis, cluster, histogram, lattice gauge, finite, path space] 815 89 Guillot: Interaction induced absorption in simple to complex liquids In: Dorfmller, ed.: Reactive and flexible molecules in liquids. Kluwer 1989. [Birnbaum, pair dynamics, CIS, collision induced, Mori-Zwanzig] 817 93 Guj: A vorticity-velocity method for the numerical solution of 3d incompressible flows [KH, METH] 818 88 Gupta: Phase transition in the 2D XY model [SO] 819 99 Gutbrod: New trends in random number generation [in: Ann. Revs. Comp. Phys. VI, Stauffer 99] 820 ****** H ****** 821 91 Haario: Increasing the learning speed of backpropagation algorithm by linearization In: Kohonen et al. (eds.): Artificial Neural Networks [feed-forward, initial weightsi, NN] 52 * Haberlandt, R., Fritzsche, S., Peinel, G., Heinzinmger, K.: - Molekulardynamik ZB 38375 [mittel, linked cell, direct simulation, ...] 53 * Hajko, V., Schilling: - Physik in Beispielen ZB 31171 [Rechenbungen, gute Beispiele] 55 * Hansen J.P., Levesque, D., Zinn-Justin, - Liquids, Freezing and Glass Transition (Les Houches, Session LI, part II) ZB 28318/51,2 [Madden, molecular motion, Ciccotti, NEMD] 823 91 Hansen: Basic concepts and tools of liquid state theory. In: Dore, Texeira, eds.: Hydrogen-bonded liquids, ZB 29408/0229 [GL, integral equations, OZ, PY, HNC, MD, MC, LR, linear response] 824 95 Hansen: Colloidal suspensions: density functional theory at work [DFT] 1740 99 Hansen: Phase behaviour of colloid systems. [demixing, MC] 56 * Harding, R.D., und Quinney, D.A.: - A simple introduction to Numerical Analysis. Vol. 2: Interpolation and Approximation ZB 30381 [mit floppy] 825 .. Harding: A simple introduction to Numerical Analysis, Vol. 2 (Auszug aus Harding-Quinney, ZB 30381) [PDGL, Randwertprobleme, RWP, finite elements, FEM, collocation method, Galerkin, Rayleigh-Ritz] 826 94 Hariharan: Structure and thermodynamics of the liquid-vapor interface of fluorocarbons and semifluorinated alkane diblocks: A molecular dynamics study [Phase separation, MD] 827 65 Harlow: Numerical calculation of time-dependent viscous incompressible flow of fluid with free surface [Harlow-Welch, Wirbeldichte, vorticity, MAC, marker and cell, KH, Navier-Stokes, Hydrodynamik] 828 88A Harris: The nature of simple photodissociation reactions in liquids on ultrafast time scales [DLA, Kramers, Grote-Hynes, reactions, barrier crossing, geminate recombination] 829 90 Harris: Demons at work [Monte Carlo, METH, Creutz demon, Ising, roughening, phase transition] 1634 88 Harris: A lattice model of a supported monolayer of amphiphile molecules: Monte Carlo simulations. [MC, 2D] 830 .. Harrison: Quantum Monte Carlo on the FPS T-series parallel vector processor [QM, QMC, METH, vectorize] 831 90 Hasenoehrl: Was Fritz Hasenoehrl frueher fand als Albert Einstein: Nicht die Formel, aber die Beziehung Masse-Energie [Hasenhrl, Plechl, Biographie, historisch] 832 95 Havemann: MD simulation of the association of model colloidal particles in two dimensions [BD, SD, potential of mean force, friction] 833 75 Heller: Time-dependent approach to semiclassical dynamics [QM, WPD] 834 76 Heller: Time dependent variational approach to semiclassical dynamics [QM, WPD, DFMCL] 835 89 Hentschke: Equation of state for parallel hard spherocylinders [scaled particle,MC, LC, smectic, nematic, Koda] 836 92 Heppke, G., und Bahr, Chr.: - Fluessigk in: Bergmann-Schaefer, Lehrbuch der Experimentalphysik, Vol. 5, Vielteilchen-Systeme, S. 227-291 ed. W. Raith (W. de Gruyter, Berlin, 1992) [Ãœbersicht, LC, liquid crystals, overview] 837 92 Herdlicka: Self-diffusion in molten lithium nitrate [SO, Richter, Zeidler, Aachen] 838 92 Heringa: New primitive trinomials of Mersenne-exponent degrees for random number generation [Tausworthe, shift register, Compagner] 839 82 Herman: On path integral MC simulations [QM, PIMC, Berne, emergy estimator] 841 92 Hess, Siegfried: - Einfache Flüssigkei in: Bergmann-Schaefer, Lehrbuch der Experimentalphysik, Vol. 5, Vielteilchen-Systeme, S. 227-291 ed. W. Raith (W. de Gruyter, Berlin, 1992) [Ãœbersicht] 840 96 Hess: Constraints in Molecular Dynamics, Nonequilibrium Processes in Fluids via Computer Simulations [MT, thermostats, NEMD, Couette flow, Gaussian dynamics, ferrofluids] 57 * Heyes, D. M.: - The liquid state. Applications of molecular simulations ZB 41323/1 [surfaces, LC, nematic, smectic, Allen] 842 86 Heyes: The nature of extreme shear thinning in simple liquids [NEMD, string phase] 843 ** Heyes: Liquids at surfaces [In: The Liquid State, LC, nematic, smectic, Allen] 844 92 Heyes: Molecular dynamics simulations of liquid binary mixtures: Partial properties of mixing and transport coefficients [LJ] 845 92A Heyes: Chemical potential, partial enthalpy and partial volume of mixtures by NPT molecular dynamics [METH, chemical potential] 846 89a Higuera: Boltzmann approach to lattice gas simulations [NN, KH, SD, linearized Boltzmann] 847 89b Higuera: Lattice gas dynamics with enhanced collisions [NN, KH, SD] 848 95 Hinsen: The influence of constraints on the dynamics of polypeptide chains [Kneller, SHAKE, CD, Lagrange mechanics] 849 88 Hoheisel: Effect of the molecular shape on the diffusion in molecular fluids. MD calculation results for SF6- C6H6 and a related model solution [CD] 850 89 Hoheisel: Thermodynamic and transport properties of cyclohexane computed by MD with use of a six-center LJ potential [AP, C6H12, CD], [Linz 91] 852 90 Hoheisel: Transport coefficients of liquid N2 computed by MD [AP, KH, Kubo] [Linz 91] [*] 853 88 Hohenemser: The accident at Chernobyl: Health and environmental consequences and the implications for risk management [Tschernobyl] 854 89 Holian: Nonlinear-response theory for time-independent fields: Consequences of the fractal nonequilibrium distribution function (Hoover, Posch, Ciccotti) [KH, FR, NEMD] 855 93 Holian: Free energy via thermostatted dynamic potential-energy changes [Hoover, Matryna-Klein-Tuckermann thermostat] 58 * Honerkamp, Josef: - Stochastische Dynamische Systeme ZB 33324 (ges. Dez.91) [Gute Einfuehrung; Zufallszahlen; random variates; maximum likelihood; Markov; Fokker-Planck; Smoluchowski; Ito/Stratonovich; Stochastische DGL; first passage; Zwangsbedingungen; CD; SD; Kubo-Oszillator, Autoregressive Prozesse (Kap.6 --> Xerox)],[*] 59 * Hoover, W. G.: Computational statistical mechanics. ZB 29159/11 [Hamiltonsche Mechanik, ..., **] 856 68 Hoover: Melting transition and communal entropy for hard spheres [MC, GL] 857 80 Hoover: LJ triple-point bulk and shear viscosities. Green-Kubo theory, Hamiltonian mechanics, and NEMD [METH, NEMD, LRT] 858 85 Hoover: Irreversibility in the two-body hard disk Lorentz gas [Ladd, NEMD] 859 92 Hoover: Fractal dimension of steady nonequilibrium flows [mit Posch; Kaplan-Yorke, Nose-Hoover, Gibbs entropy] 860 92a Hoover: NEMD at Livermore and Los Alamos [METH, NEMD, symplectic Stoermer, DOLLS, SLLOD] 861 93 Hoover: NEMD: the first 25 years [METH, NEMD, DOLLS, SLLOD] 862 96 Hoover: Time-reversible dissipative ergodic maps [Posch, Chaos, FR] 863 88 Huber: Hybrid mechanics: A combination of classical and quantum mechanics [Heller, QM, WPD] 864 89 Huber: Properties of Lennard-Jones mixtures at various temperatures and energy ratios with a size ratio of two [LJ, MD] 865 90 Huckaby: Exact results for the adsorption of a dense fluid onto a triangular lattice of sticky sites [Blum, Baxter] 1655 ** Hull: Das exakte Verfahren zur Berechnung der Werte amerikanischer Kaufoptionen auf Aktien, die Dividenden abwerfen. [bivariate normal, Lennard-Jones Lines, LJL] 1656 * Hull: Calculation of cumulative probability in bivariate normal distribution. (Technical Note, from Hull: Options, Futures, and other derivatives.) [bivariate normal, Lennard-Jones Lines, LJL] 866 92a Hummer: Correlations and free energies in restr. prim. mod. (RPM) description of electrolytes (reprint) [ML, pcf, triplet correlations, superposition appr.] 867 92b Hummer: Pair correlations in a NaCl-SPC water model. Simulations vs. extended RISM computations. [ML, AP, constrained MD, Ewald, RF, METH, pcf] 868 92c Hummer: Computer simulations do not support Cl-Cl pairing in aequeous NaCl solution [ML, pcf] 869 92d Hummer: An extended RISM study of simple electrolytes: pair correlations in a NaCl-SPC water model [PKF] 870 94 Hummer: Computation of the water density distribution at the ice-water interface using a potential-of mean-force expansion [AP, MC] 871 96 Hummer: An information theory model of hydrophobic interactions [cavity formation, hydration] 60 * Hutter, K.: - Die Anfnge der Mechanik (Newtons Principia ...) ZB 33252 872 75 Hwang: ...mic effects of pair correlation functions on spin relaxation by translational diffusion in liquids (Freed) [PD, recollision] 873 91 Hwang: Analysis of initial stage sintering through computer simulation [neck growth, shrinkage, surface area reduction] 874 ****** I ****** 61 * Infeld, E., and Rowlands, G.: - Nonlinear waves, solitons and chaos ZB 33586 [overview, plasma] 875 94 Ionescu: Surface elastic properties of nematic liquid crystals [K13] 876 97 Itagaki: Particle diffusion on the way toward Gaussian process in classical liquid [in: Tokuyama] 1779 08 Ivancic: User Guide / CFD2k. [CFD, computational fluid dynamics, smoothed particle, SPH] 877 96 Ivanov: Statistical measures derived from the correlation integrals of physiological time series [Posch, chaos, NL] 878 ****** J ****** 879 .. Jacob: Self-diffusion in binary mixtures: the system benzene/cyclohexane at high pressures [Zeidler] 881 92 Jaeger: La physique de l'etat granulaire [self-organizing criticality, Pak, avalanches, sandpile] 62 * Jaehne, Bernd: - Digitale Bildverarbeitung ZB 3536) [Fourier, Abtastung, Nyquist, FFT, Eigenschaften, Faltung] 880 92 Jaehne: Digitale Bildverarbeitung (Auszuege; ZB 35369) [Fourier, Abtastung, Nyquist, FFT, Eigenschaften, Faltung] 883 88 James: A review of pseudorandom number generators [METH, MC, review, RANMAR, Marsaglia, Tausworthe, shift register] 882 90 Jaquet: Application of the finite element method to eigenvalue problems [METH, QM] 63 * Jaworski: - Physik griffbereit (ca. 40 DM) [Datensammlung, Formelsammlung] 884 57a Jaynes: Information theory and statistical mechanics [maximum entropy, maxent, inference] 885 57b Jaynes: Information theory and statistical mechanics II [maximum entropy, maxent, density matrix] 886 89 Jaynes: Where do we stand on maximum entropy? [SO, MAXENT, maxent, Bayes] 887 00 Jennewein: A fast and compact quantum random number generator [Zeilinger] 888 34 Jensen: Ueber den Austausch im Thomas-Fermi-Atom [exchange, Ritz, density functional, CP] 889 91 Jensen: 1/f noise, lattice gases, and diffusion [NN, sandpile] 890 75 Jhon: A kinetic theory of classical simple liquids [KH] 891 04 Job: The chemical potential - a quantity in search of recognition (AJP, not accepted)) [Herrmann, didactic] 1579 ** Jones Soft condensed matter (TOC) ZB 43821/6 [LC, demixing, phase transitions, nematic] 892 85 Jorgensen: MC simulation of differences in free energies of hydration [METH, perturbation theory, H-bonds] 893 88 Jose: Quantum manifestations of classical chaos: statistics of spectra. In: Bai-Lin, ed.: Directions in Chaos. [billiards, ..] 1639 99 Joskowicz: Computer-aided mechanical design using configuration spaces. [robotics, hard body contacts, overlap, METH] 894 91 Joynt: Numerical evaluation of candidate wavefunctions for high-temperature superconductivity. In: Landau, Mon, Schttler (eds.): Computer simulation studies in Condensed Matter Physics III. Springer 1991. ZB 29271/53 [variational MC, Hubbard model, ] 64 * Justice, James H., ed.: - Maximum entropy and Bayesian Methods in Applied Statistics ZB 33099/4 [Jaynes] 895 ****** K ****** 896 85a Kabadi: MD of fluids: the Gaussian overlap model [Steele, Gay-Berne, nematics, liquid crystals] 897 85b Kabadi: Statistical mechanics of non-spherical molecules: spherical harmonic expansions on non-spherical surfaces [Steele, nematics, liquid crystals] 898 86a Kabadi: Statistical mechanics of non-spherical molecules: spherical harmonic expansions on non-spherical surfaces II: Gay-Berne potential [nematics, liquid crystals] 899 86b Kabadi: MD of fluids: the Gaussian overlap model II [Steele, nematics, liquid crystals] 65 * Kadanoff, L. P.: - From Order to Chaos ZB 36555/A,1 [computational physics, scaling, critical, renormalization] 900 83 Kadanoff: Roads to chaos [FR, turbulence, logistic map, intermittency] 901 88 Kadanoff: Interactive computation for undergraduates [FR, Sinai, stadium billard] 902 89 Kadanoff: Scaling and universality in avalanches [FR, CA, self-organized criticality, Bak, sandpile] 903 91 Kadanoff: Scaling and multiscaling (Fractals and Multifractals) [FR, self-organized criticality, sandpile] 904 93 Kadanoff: From Order to Chaos [Contents, computational physics, scaling laws, critical, renormalization, fractals] 905 04 Kadanoff: Excellence in Computer simulation [survey] 91 Kaddour: MD investigation of tracer diffusion in a simple liquid [mit Barrat, Lit. truncated LJ, PD] 66 * Kahn, P. B.: - Mathematical Methods for Scientists and Engineers: Linear and Nonlinear Systems ZB 33739 [method of averging (MOA); method of multiple time scales (MMTS); Duffing; chaos; FR] 906 89 Kalia: Quantum molecular dynamics study of electron transport in an external field [QM, METH, de Leeuw] 907 90 Kalia: Quantum MD simulation of electron bubbles in a dense Helium gas In: Aguilera-Navarro (ed.): Condensed matter theories, Vol. 5 Plenum, N.Y. 1990 [METH, QMD, Selloni] 908 91 Kandel: General cluster MC dynamic [sintering, MC, cluster MC, Potts model, METH] 909 91 Kang: The Hamiltonian way for computing Hamiltonian dynamics [METH, symplectic algorithms] 910 89 Kantor: MC simulations on mixtures of the Kihara pointwise and rodlike molecules [Boublik, internal energy, excess properties] 911 .. Kapral: Kinetic theory of chemical reactions in liquids [rate processes, pair dynamics, pair Langevin equation, SD, review] 912 91 Karawatzki: A practical algorithm for the determination of the positions of superstable cycles [FR] 915 90 Karim: Dynamics of an ammonium ion in water: MD simulation [NVE MD, memory function, translational, rotational] 913 97 Kato: Brownian dynamics of hard sphere colloidal systems [in: Tokuyama] 914 ** Kauffmann: Diverse papers ueber dynamics of excitations [Mollay, Wagersreiter, polymers] 1687 03 Kayacan: Generalization of the Maier-Saupe theory of the nematics within Tsallis thermostatistics. [LC, METH] 67 * Kenway,R.D., Pawley, G.S., eds.: - Computational Physics ZB 27248/32 [Tildesley: MD; Wallace: neural networks; Wolfram: cellular automata] 916 87 Keyes: Collision-induced light scattering from growing clusters. Depolarization by fractals [KR, CILS, Seeley] 917 88 Khurana: Numerical simulations reveal fluid flows near solid boundaries [KH, METH, NEMD, Grenzschicht] 918 85 Kim: The resistance and mobility functions of two equal spheres in low-Reynolds number flow [SD, KH, BD, colloids, hydrodynamic interaction, pair dynamics] 919 97 Kimura: Mean field theory of nematic liquid crystals [in: Tokuyama] 920 83 Kirkpatrick: Optimization by Simulated Annealing [simulated annealing, SA, spin glasses] 921 90 Kirschbaum: Microgravity effects on ultrasonic absorption in molten salts [SO, Richter, Aachen] 922 93 Klein: MD for systems under high pressure [constant pressure MD, NpT-MD] 924 89 Kneller: Molecular dynamics studies and neutron scattering experiments on methylene chloride (G.R.Kneller, A.Geiger) [AP, quaternions, Wigner functions] 925 94 Kneller: Generalized Euler-equations for linked rigid bodies [Gauss principle, Lagrange mechanics, robotics, quaternions] 926 93 Koda: Theoretical study of the dynamics of the nematic-smectic A transition [liquid crystal, LC, diffusion] 927 94 Koda: Phase diagram of the nematic-smectic A transition of the binary mixture of parallel hard cylinders of different lengths [liquid crystal, LC, demixing] 928 98 Koda: Effect of addition of hard spheres to the smectic-A phase of parallel hard spherocylinders [liquid crystal, LC, demixing] 929 00 Koda: Monte Carlo simulation of a binary mixture of hard rods and hard spheres [NPT MC, Gibbs free energy of insertion] 1663 02 Koda: Test of the scaled particle theory for aligned hard spherocylinders using Monte Carlo simulation. [MC, insertion, multistage, Widom, chemical potential] 1664 96 Koda: Smectic-A phase of a bidisperse system of parallel hard rods and hard spheres. [LC, nematic, smectic, HSC, spherocylinder, MC, mixture] 930 89 Koenning: Erfahrungsbericht ueber das Muensteraner Studienprojekt Physik auf dem Computer [CIP, Koonin, CP-Lehre] 931 88 Kofke: Monte Carlo simulation of multicomponent equilibria in a semigrand canonical ensemble [Phase separation, Demixing] 932 92 Kogan: Charge distribution in two-dimensional electrostatics [Grosse, SO] 68 * Kohonen, T. et al.: - Artificial Neural Networks I+II. Proc. Intern. Conf. 1991 North-Holland 1991 ZB 35338/1 [proceedings, robotics, inverse kinematics problem] 933 89 Kolar: A note on the application of the semiclassical wave packet dynamics [QM, METH, WPD], [Linz 91] 1673 95 Komolkin: Local structure in anisotropic systems determined by molecular dynamics simulation. Application to a nematic liquid crystal. [Maliniak, LC, 5CB] 69 * Kopacek, P. (ed.): - Robotics in Alpe-Adria region. Krems workshop 1993. Springer 1994. ZB 37348 [RISC, kinematics, lightweight robots] 934 95 Koplik: Continuum deductions from molecular hydrodynamics [KH, LJ, MD] 935 90 Kowall: Short-wavelength collective dynamics in metastable water. A MD simulation study (Th.Kowall, P.Mausbach, A.Geiger) [AP, KH] 936 91 Kralj: Nematic-isotropic phase transition in a liquid-crystal droplet [] 937 92 Kralj: Freedericksz transitions in supra-mum nematic droplets [liquid crystals] 939 93a Kralj: Deuterium NMR of a pentylcyanobiphenyl liquid crystal confined in a silica aerogel matrix [nematic-isotropic] 940 93b Kralj: Effect of smectic-A elastic properties on the screw dislocation core structure [liquid crystals] 941 93 Kralj: Deuterium NMR of a pentylcyanobiphenyl liquid crystal confined in a silica aerogel matrix [Blinc, 5CB, Nematics, Anchoring, Cavities, Confined geometry, Free energy] 942 94 Kralj: Deuteron NMR study of liquid crystals confined in aerogel matrices [nematic-isotropic] 943 94a Kralj: Landau-de Gennes theory of the chevron structure in a smectic-A liquid crystal [nematic] 944 95 Kralj: The saddle-splay elasticity of nematic structures confined to a cylindrical capillary [liquid crystals] 945 95a Kralj: Slika Doriana G. Selfmanagementa [comic strip] 946 95b Kralj: Confined liquid crystals [lecture Ms., cavities, nematics, Landau-de Gennes] 947 95c Kralj: Confined: nematic liquid crystals: possible role of computer simulations [lecture Ms., cavities, nematics, Landau-de Gennes] 948 97 Kralj: Nematic ordering in porous glasses: A deuterium NMR study [5CB, Liquid crystals, Confined geometry] 1626 98 Kralj: Influence of the inhomogeneous surface pretilt on zig-zag effects. [LC, chevron,smectic] 1761 97 Kralj: Nematic ordering in porous glasses: A deuterium NMR study. [5CB, LC, liquid crystals, confined geometry] 949 95 Kramer: Convection instabilities in nematic liquid crystals [overview] 950 40 Kramers: Brownian motion in a field of force and the diffusion model of chemical reactions [SD, PD, rate processes, Grote-Hynes] 951 89 Kranendonk: Computer simulation of solid-liquid coexistence in binary hard sphere mixtures [AP, atomare, GL, equilibrium] 952 91 Kreer: Modelling of orientational ordering in lipid monolayers [MD, MC, rigid rods] 953 .. Kreer: Orientational order in lipid monolayers: a one-dimensional model [MC, Binder] 1714 94 Krekhov: Orientational instability of nematics under oscillatory flow. [director relaxation,LC,director reorientation] 954 93a Kresse: Ab initio MD for open shell transition metals (Hafner) [METH, Car-Parrinello, CP] 955 93b Kresse: Ab initio MD for liquid metals (Hafner) [METH, Car-Parrinello, CP] 1580 95 Kriebel Vapour-liquid equilibria of two-centre Lennard-Jones fluids from the NPT plus test particle method. [MC, LJ, Fischer, diatomic, Zeidler] 956 95 Kriebel: A hybrid equation of state for Stockmayer pure fluids and mixtures 958 96 Kriebel: Prediction of thermodynamic properties for fluid nitrogen with molecular dynamics simulation [NVT, two-center LJ, nitrogen, perturbation theory] 959 96B Kriebel: Excess properties of dipolar and non-polar fluid mixtures from NpT molecular dynamics simulations [NpT, two-center LJ, nitrogen, perturbation theory] 960 80 Krinke: An analysis of algorithms for solving differential equations [METH, stiff] 961 96? Kronome: Extension of the NpT + test paricle method for the calculation of phase equilibria of nitrogen + ethane [mixtures] 962 .. Kubo: A stochastic theory of line-shape and relaxation [LS, narrowing, modulation, cumulants, Gaussian processes] 963 62 Kubo: Generalized cumulant expansion method [KH] 964 63 Kubo: Stochastic Liouville equations [cumulants, LS, narrowing, modulation] 965 91 Kuerten: Information-specific designs of multi-connected neural network models [NN, Hadamard] 966 92 Kuerten: Hadamard design and artificial neural nets [NN, Hadamard] 967 92a Kuerten: Tiling artificial neural network architectures [NN, Hadamard, travelling salesman] 968 99? Kuerten: Moment equations and closure schemes in chaotic dynamics [chaos, logistic map] 969 98 Kuerten: Incommensurate and chaotic modes in classical Hamiltonian systems [] 976 99 Kuerten: Regular and irregular dynamical behaviour in Hamiltonian lattice models: An approach from complex systems theory [linear chain] 970 52 Kuhrt: Das Troepfchenmodell realer Gase [nucleation, Kondensation, homogene Nukleation, freie Energie, Keimbildung, Lothe-Pound] 971 98 Kulkarni: New approach for simulationg chain conformations in dense polymers using fully populated lattice models 972 95 Kum: Viscous Conducting Flows with Smooth Particle Applied Mechanics [Hoover, Posch, MD, Rayleigh-Benard, METH] 973 88 Kumar: Invariant expansion of the radial distribution function for fluids of hard convex bodies [GL, Evans] 974 89 Kumar: Translational dynamics in simple dense fluids. II. Self- diffusion [KH,PD, Evans, Enskog, recollision] 975 89 Kumta: Glass formation in simple ionic systems via constant pressure MD [NaCl, ZnCl2, rigid ion, METH] 977 90 Kusnezov: Canonical ensemble from chaos. I. Classical systems (D. Kusnezov, A. Bulgac, W. Bauer) [FR, METH, Nose-Hoover] 1724 02 Kutnjak: Effect of dispersed silica on the smectic-A-smectic-C* phase transition. [Kralj,LC,experimental] 70 * Kuypers, Friedhelm: - Klassische Mechanik ZB 33271 [Lagrange1+2, d'Alembert, Hamilton] 978 ****** L ****** 979 87 Ladd: Structural relaxation in dense hard-sphere fluids [HS, Alder, PD, molasses] 980 89 Ladd: Decay of angular correlations in hard-sphere fluids [Alder, pair dynamics, PD, KH, Enskog] 981 97B Lado: Orthogonal polynomial approach to fluids with internal degrees of freedom: The case of nonpolar, polarizable molecules 983 97A Lado: Molecular theory of a charged particle in a polarizable nonpolar liquid [Stockmayer] 984 97 Lado: Orthogonal polynomial approach to fluids with internal degrees of freedom: The case of polar, polarizable molecules [Drude oscillators] 985 58 Lafore: A study of the propagation of fast neutrons in water by the MC method [SO, n-transport, MC, Monte Carlo] 986 88 Lago: A generalization for mixtures of a fast algorithm to calculate some intermolecular orientational averages [Kihara, ueberholt] 1691 04 Lago: Crowding effects in binary mixtures of rod-like and spherical particles. [LC, demixing] 73 * Landau,D.P., Mon,K.K., Schuettler,H.-B. - Computer Simulation Studies in Condensed Matter Physics XI. ZB 29271/45 [Athens Workshop 1998] 987 00 Landau: A guide to Monte Carlo simulations in statistical physics [Binder, MC, METH, random numbers, other ensembles] 988 89 Landmann: MD simulations of materials: beyond pair interactions (aus: Atomistic simulation of materials - Beyond pair potentials. V.Vitek, D.J.Srolovitz, eds.: ZB 32552) [ME, silicon, epitax, Car, Stillinger-Weber] 989 92 Lang: Leuchtendes Silicium [Luminiszenz, porses Si, Nanokristall, SO] 990 90 Langevin: Light scattering by liquid surfaces and complementary techniques [principles of LS (Ch.2), liquid crystals (Ch.9)] 992 84 Langton: Self-reproduction in cellular automata [Neumann, Codd, Rosen] 991 90 Lankford: Gender and Science: Women in American Astronomy, 1859-1940 [computers, SO] 1713 00 Latham: Substrate-induced demixing in a confined liquid crystal film. [Cleaver,LC,GB,anchoring] 993 94 Lavrentovich: Patterns and the divergence ("surfacelike") elasticity in thin liquid crystalline films [K13, nematics, smectics] 1712 93 Lavrentovich: Field-driven first-order structural transition in the restricted geometry of a smectic-A cell. [LC,domains] 74 * Lax, M., Gorkov, L., Birman, J. C. (eds - Frontiers in condensed matter theory (Proceedings of a USA-UDSSR conference) ZB 7306/581 [Anderson localisation, high-Tc superconductors, Per Bak, self-organized criticality,sandpile] 1706 83 Lebowitz: Correlation functions for nematic liquid crystals. [Perram, parallel ellipsoids, LC] 996 .. Leegwater: The orientational pair correlation functions in a dense HS fluid at long times [KH, PD, pair dynamics] 997 89 Leegwater: Hydrodynamic correlation functions of hard sphere fluids at short times (J.A.Leegwater, Henk van Beijeren) [KH] 998 90 Leegwater: Velocity autocorrelation function of Lennard-Jones fluids (J.A.L.) [KH] 999 94 Lekkerkerker: Phase behaviour of rod-like mixtures [AO model, Asakura, segregation, LC, liquid crystals] 1584 05 Lettinga Self-diffusion of rod-like viruses in the nematic phase [Dogic, colloids, virus, diffusion, LC] 1675 99 Letz: Fluids of hard ellipsoids: Physe diagram including a nematic instability from Percus-Yevick theory. [PY, LC] 1000 92 Levesque: Recent progress in the simulation of classical fluids (mit J.-J. Weis; in: Binder, ed.: The MC method in condensed matter physics, Springer 1992) [MC, METH, ensembles, free energy, polar fluids,mixtures, ML, plasmas, OCP, ionic systems, interfaces, overview, pores, convex molecules, polymers, AP, polarizability] 1001 93 Levesque: Molecular dynamics and time reversibility [integer arithmetic, long time tail] 75 * Levin, R. D., and Bernstein, R. B.: - Molekulare Reaktionsdynamik ZB 21942 [wenig nuetzlich (z.B. kein "Kramers"), aber viel Allgemeines] 1002 88 Levine: Hamiltonian theory for vibrational dephasing rates of small molecules in liquids [GLE, SD, KH, Zwanzig, reaction, rate processes] 1003 89 Levine: Sudden theory for tunneling in dissipative systems [PD, frozen path, Polak] 76 * Levy-Leblond, J.-M., Balibar, F.: - Quantics ZB 33545 [gute Einfuehrung, neues didaktisches Konzept] 1004 91 Leydolt: Feynman's smaller baby [QM] 1005 .. Li: Least squares approximation by Legendre series [orthogonal polynomials] 1596 05 Li: Depletion interactions between two spherocylinders. [HS, MC, acceptance ratio method, colloids] 1006 61 Lifshitz: The kinetics of precipitation from supersaturated solid solutions [Lifshitz-Slyozov, LS, sintering, vacancies, pores, coarsening] 77 * Lim, J. S., Oppenheim, A. V.: - Advanced Topics in Signal Processing ZB 33372/1 [FFT, Signal Modeling] 78 * Lindenberg, K., und West, B.: - The Nonequilibrium Statistical Mechanics of Open and Closed Systems ZB 33697 [Langevingleichung, GLE, Stratonovich vs. Ito, Projektionsoperatoren, first passage, Hamiltonsche Systeme (Kap.4)] 1776 99 Lisal: Pure fluids of homonuclear and heteronuclear square-well diatomics. I. Computer simulation study. [Nezbeda, MC, NVT, GEMC] 1007 92 Llorente: Classical dynamics methods for high energy vibrational spectroscopy (with Eli Pollak) [reactive scattering, Hynes, DCR, SD] 1009 94 Loewen: Brownian dynamics of hard spherocylinders [rotational self diffusion, Zeidler] 1646 02 Loewen: Density functional theory of inhomogeneous classical fluids: recent developments and new perspectives. [DFT, Rosenfeld] 1008 89 Lomba: Background and bridge functions for the homonuclear diatomic fluid [MC, GL, PY] 1010 91 Loose: Anisotropy in velocity space induced by transport processes [NEMD, KH, shear thinning, Hess] 1011 99 Lopac: Classical and quantum chaos in the generalized parabolic lemon-shaped billiard [Radic, billards, Berry] 1012 01 Lopac: Chaotic behavior in lemon-shaped billiards with elliptical and hyperbolic boundary arcs [Radic, billards, Berry, Sinai] 1013 02 Lopac: Chaotic dynamics and orbit stability in the parabolic oval billiard [Radic, billards, Berry, Bunimovich] 1014 03 Lopac: Chaotic properties of the elliptical stadium billiard [Radic, billards, Berry, Bunimovich] 1672 05 Lua: Illustration of the Jarzynski nonequilibrium work relation for an ideal gas. [] 1015 94 Luca: MD simulations of discotic liquid crystals using a hybrid Gay-Berne Luckhurst-Romano potential [nematics, GB] 79 * Lucas, Klaus: - Applied Statistical Thermodynamics [genau das, liquids, perturbation theory, gutes Lehrbuch, ...] 1016 90 Luckhurst: Computer simulation studies of anisotropic systems XIX. Mesophases formed by the Gay-Berne model mesogen [MD, nematics, gaussian overlap, smectic, METH, technique, liquid crystals] 1017 93 Luckhurst: Computer simulation studies of anisotropic systems XXI. Parametrization of the Gay-Berne potential for model mesogens [MD, nematics, smectic, METH, technique, liquid crystals] 1018 77 Lucy: A numerical approach to the testing of the fission hypothesis [METH, SPH] 1019 92 Lueders, Klaus: - Superfluessigkeiten, in: Bergmann-Schaefer, Lehrbuch der Experimentalphysik, Vol. 5, Vielteilchen-Systeme, S. 293 ff. ed. W. Raith (W. de Gruyter, Berlin, 1992) 1020 95 Lukac: Computer simulation of liquid crystal- mixtures with the gay- berne potential [Gay-Berne] 1021 84 Lynden-Bell: Comparison of the results from simulations with the predictions of models for molecular reorientation [AP, cumulant, review] 1022 89 Lynden-Bell: Reorientational correlation functions, quaternions and Wigner rotation matrices (R.M.Lynden-Bell, A.J.Stone) [METH,GL] 1023 92 Lyubartsev: New approach to Monte Carlo calculation of the free energy: Method of expanded ensembles [MC, METH, Free energy, Parameter annealing] 1024 ****** M ****** 1036 89 MacPhail: Relaxation in supercooled liquids: A generalized hydrodynamic description [Kivelson, shear, retardational compliance, KH] 1705 73 MacRury: Statistical mechanics of linear molecules. VIII. Hard-core models. [Steele, FHS, fused, LC, blip function, Wigner function] 1025 87 Madden: MC studies of the melt-vacuum interface of a lattice polymer [reptation, ] 1037 77 Madden: The lineshape of the depolarised Rayleigh scattering from liquid argon [CILS, KH] 1038 78 Madden: The depolarized Rayleigh scattering from fluids of spherical molecules [CILS, KH, GLE, SD] 1026 96 Mak: Monte Carlo methods for real-time path integration [QMC] 1027 99 Makri: Time-dependent quantum methods for large systems [QM, WPD, wave packets, PIMC, path integral] 1028 90 Malescio: Demixing of LJ-mixtures: An integral equation approach [ML, GL, HNC, phase separation] 1029 90a Malescio: Demixing of LJ-mixtures: An integral equation approach. II. Particles of unequal size [ML, GL, HNC, critical point] 1030 91 Malescio: Phase stability of a simple fluid model mixture [GL, spinodal line, HNC, binary mixture, ML, demixing] 1031 91a Malescio: Theoretical determination of phase equilibria in simple fluid mixtures [ML, GL, HNC] 1032 92 Malescio: Demixing and mixing of binary hard-core Yukawa mixtures [HS, HNC, PY, ML, GL] 1039 93 Mannella: Computer experiments in non-linear stochastic physics In: Noise in nonlinear dynamical systems, Vol 3: Experiments and simulations; F. Moss, P.V.E. McClintock (eds.); CUP 1993(?); ZB 36259/3 [SD, Stratonovich, Ito] 80 * Manneville,P., Boccara,N., Vichniac,G.Y - Cellular Automata and Modelling of Complex Physical Systems ZB 29271/46 [Lattice Gas, Ising model, Creutz method, Diffusion, Frenkel, Binder, Velocity acf] 1040 71 Mansoori: Equilibrium thermodynamic properties of the mixture of hard spheres [CST, Carnahan, Starling, Leland] 1041 92 Mansour: MD study of density fluctuation in a non-equilibrium system [METH, S(k), Rayleigh, Brillouin] 1033 .. Marchesoni: The breakdown of the Kramers theory as a problem of correct modeling [Zwanzig, PD, rate processes] 1042 87 Mareschal: Order and fluctuations in nonequilibrium MD simulations of 2-dimensional fluids (M.Mareschal, E.Kestemont) [MD, NEMD, METH, hard disks] 1043 92 Marinari: Simulated tempering: a new MC scheme [simulated annealing, METH] 1044 90 Marsaglia: Toward a universal random number generator [Fibonacci, shift register, Tausworthe] 1045 85 Marshall: A drop of ink falls from my pen..It comes to earth, I know not when (T.W.Marshall, E.J.Watson) [first-passage times, boundary diffusion, KH] 1046 87 Marshall: The analytic solutions of some boundary layer problems in the theory of Brownian motion (T.W.Marshall, E.J.Watson) [KH, albedo, Milne Uhlenbeck-Ornstein process, first-passage times, Wang-Uhlenbeck] 1047 95 Martin d.R.: Computer simulation of the liquid-vapour interface in liquid crystals [de Miguel, Gay-Berne, nematics, surface tension] 1048 95 Martin: Surface-induced alignment at model nematic interfaces (Physical Review E, Vol.52, No.5, November 1995) [De Miguel, Liquid crystals, Wetting] 1711 97 Martin: Computer simulation study of the free surfaces of a liquid crystal model. [de Miguel,GB,LC,NVT MD,surface tension] 1049 91 Martinetz: A "Neural-Gas" Network Learns Topologies In: Kohonen et al. (eds.): Artificial Neural Networks [NN, Kohonen] 1678 05 Martinez-Haya: A novel orientation-dependent potential model for prolate mesogens. [LC, GB, Gay-Berne, Kihara] 1050 94 Martyna: Constant pressure molecular dynamics algorithms [!, METH, NPT, MD] 1051 91 Marx: Phase Transitions in Two-dimensional Fluids with Internal Quantum States [PIMC] 1744 07 Marx: Mixing in dynamical evolution. [Posch, Thirring] 81 * Masters, Timothy: - Network recipes in C++. Academic Press 1993 ZB 36932 [excellent, NN, genetic optimization, Kohonen, simulated annealing, fuzzy logic] 1052 89 Matsui: MD study of the structural and thermodynamic properties of MgO crystal with quantum correction [METH, Parrinello-Rahman, QM], [*] 1053 97 Matsui: Molecular dynamics analysis of the fast process in supercooled liquids [in: Tokuyama] 1054 89 Matsumoto: Molecular orientation near liquid-vapor interface of methanol: Simulational study [AP, surface, Linz 91] 1055 87 Matsumoto: Chaos in electronic circuits [Chua, horseshoe, double scroll, Van der Pol] 1056 34 Mattauch: ber einen neuen Massenspektrographen [SO, Elektronenoptik] 1780 99 McCabe The thermodynamics of heteronuclear molecules formed from bonded square well (BS [statistical associating fluid theory, variable attractive range, MC] 1057 .. McClelland: Explorations in parallel distributed processing [NN, Rumelhart] 1058 74 McDonald: Application of thermodynamic perturbation theory to polar and polarizable fluids [Stockmayer, MC, Stell, Rasaiah, Narang, Pade approximant] 1674 96 McGrother: The liquid-crystalline phase behaviour of hard spherocylinders with terminal point dipoles. [] 1034 90 McKane: Path integrals and non-Markov processes. I. General formalism [coloured noise, SD, rate processes; II.: Bray] 1059 88 McNamara: Use of the Boltzmann equation to simulate lattice gas automata [NN, KH, SD, METH, lattice Boltzmann, discretized Boltzmann] 1060 92 McNamara: Lattice Boltzmann simulation of high Reynolds number fluid flow in two dimensions. In: Microscopic simulations of complex hydrodynamic phenomena; M. Marechal, B.L. Holian (eds.) Plenum, 1992. (Alder) [METH, lattice gas, Navier-Stokes, SD, KH] 1061 83 Meakin: Diffusion-controlled cluster formation in two, three, and four dimensions [FR, Hausdorff, DCA] 1062 85 Meakin: Fractal structures from an evaporation/condensation model [FR, DCA, diffusion controlled aggregation, MC] 1063 88 Meakin: Models for colloidal aggregation [FR, DCA, diffusion controlled, clusters] 1064 88 Meckl: Self-diffusion mesurements of ethanol and propanol [Zeidler, rough hard spheres] 1612 89 Mederos: Molecular theory of smectic-A liquid crystals. [mean field, MFT, DFT, perturbation] 1065 .. Meeus: Astronomical Formulae for Calculators (Auszug) [Julianischer Tag, Osterdatum] 1745 80 Melnyk: Perturbation theories for molecular fluids. I. The RAM and BLIP function theories for hard dumbbells. [] 1066 93 Memmer: Computer simulation of chiral liquid crystal phases I. The polymorphism of the chiral Gay-Berne fluid [GB, nematics, cholesteric, helical smectic] 1067 95 Memmer: Computer simulation of chiral liquid crystal phases. A cholesteric phase formed by atropisomeric molecules. [Gay-Berne, GB, nematics, poster] 1068 95a Memmer: Computer simulation of chiral liquid crystal phases. Intermolecular chirality transfer to rotamers in a cholesteric phase. [Gay-Berne, GB, nematics, poster] 1071 98 Memmer: Computer simulation of chiral liquid crystal phases- VII. The chiral Gay-Berne discogen [chiral discotic, cholesteric, blue phase,order parameter, orientational correlation, MC] 82 * Metcalf,: - Fortran Optimization ZB 11699/17 1072 49 Metropolis: The Monte Carlo method [Ulam, MC, METH, transport MC, quantum MC, QM, diffusion] 83 * Meyer, H. A., ed.: - Symposium on MC methods ZB 11199 [1954, historisch, Metropolis, Kahn] 1073 89 Mezei: Direct calculation of the excess free energy of the dense LJ fluid [thermodynamic integration] 1074 97 Milanovic: Statistical mechanics and computer simulation of self-gravitating systems [Posch] 1075 98 Milanovic: What is liquid? Understanding the states of matter [Posch, Hoover, Lyapunov, collective modes, two-dimensional dumbbells] 1076 00 Milanovic: Localized and delocalized modes in the tangent space dynamics of planar hard dumbbell fluids [Posch, Lyapunov modes] 1077 16 Millikan: Quantenbeziehungen beim photoelektrischen Effekt [SO, Planck] 1643 00 Mills: Formation of a nematic monodomain in a model liquid crystal film. [Allen, Cleaver, LC, GB, isotropic, nematic, anchoring] 1676 ** Mills: Computer simulation of fractionation in bidisperse liquid crystals. [Cleaver, GEMC, GB, Gay-Berne, demixing,LC, smectic] 1677 00A Mills: Gibbs ensemble simulation of nematic-isotropic coexistence in a liquid crystal mixture. [Cleaver, GEMC, GB, Gay-Berne, demixing,LC, smectic] 1710 98 Mills: Computer simulation of an unconfined liquid crystal film. [Cleaver,MD,GB,LC,surface tension,nematic,anchoring] 1567 05 Miloshevsky: Application of finite difference methods to membrane-mediated protein interactions and to heat and magnetic diffusion in plasmas. [METH, interdiciplinary, PDE, implicit] 1078 04 Mimkes: Einfuehrung in die Festkoerper-Thermodynamik [didactics, statistical physics, thermodynamics] 1087 97 Mitsuno: Levy walks model of slow dynamics [in: Tokuyama] 1079 93 Mitus: Locating liquid-solid transitions in computer simulations based on local structure analysis [METH, phase transitions, quantum states] 84 * Miyashita et al. (eds.): - Computational Approaches in Condensed Matter Physics ZB 29271 [PIMC, QMC, Stratonovich-Transformation, ...],[X-Auszuege!] 1080 92 Miyashita/...Computational approaches i [QMC, DMC, METH, CP, Car-Parrinello, glass transition, Hubbard-Stratonovich, Nose-Hoover] 1082 92 Miyashita/Hamann: QMC [QMC, Hubbard-Stratonovich transformation, METH] 1085 92 Miyashita/Imada: QMC [Hubbard model, METH] 1086 92 Miyashita/Nose: Harmonic oscillator, thermostatted [Nose-Hoover, HO, METH] 1084 92 Miyashita/Sorella: Projection MC [QMC, Hubbard-Stratonovich, METH] 1083 92 Miyashita/Yonezawa: Traditional and ab-initio MD - glass transition and amorphous SiH [CP, Car-Parrinello, METH] 1708 98 Miyazaki: Surface-induced spatial ordering in nematic and smectic phases of Gay-Berne model. [NVT MD, LC, GB, anchoring] 1709 98a Miyazaki: Surface-stabilized smectic A phase in the Gay-Berne model. [NVT MD, LC, GB, anchoring, film] 1088 94 Moeller: Determination of an effective intermolecular potential for carbon dioxide using vapour-liquid phase equilibria from NPT+test particle simulations [2LJ, diatomic, dumbbells, Zeidler, Fischer] 1089 91 Mon: Finite Size Effects for the Simulation of Phase Coexistence in the Gibbs Ensemble near the Critical Point [METH, MC] 1090 83 Monaghan: Shock simulation by the particle method SPH [METH, KH, smoothed particle, artificial viscosity] 1091 85 Monaghan: Particle methods for hydrodynamics [SPH, METH, KH, PIC, smoothed particle, interpolation, Schoenberg] 1092 88 Monaghan: An introduction to SPH [METH, smoothed particle, KH] 1093 89 Monaghan: On the problem of penetration in particle methods [METH, KH, SPH] 1094 92 Monaghan: Smoothed particle hydrodynamics [METH, KH, SPH] 1095 79 Montgomery: Trajectory analysis of a kinetic theory for isomerization dynamics in condensed phases [Chandler, Berne, SD, PD, pair dynamics, reactions, Smoluchowski, n-butane, rate processes, Hynes, hot cage, *] 1096 86 Moody: Free energy difference calculations comparing fcc and hcp structures using MD computer simulations [ME, METH, free energy, Rahman], [Linz 91] 1097 91 Morales: Path integral simulation of the free energy of (LJ) neon (mit K. Singer) [QM, PIMC, lambda-integration] 1098 89 Morgan: MD simulation of the physics of thin film growth on silicon: effects of the properties of interatomic potential models [METH, MD, epitaxial growth] 1099 97 Moriguchi: Computer simulation study of dense hard sphere colloids [in: Tokuyama] 1100 89 Morillo: Solvent dynamical effects on nonadiabatic electron transfer reactions at low temperature [SD, rate processes] 1101 01 Morishita: Examination of structural stability and phase transitions in constant-pressure first-principles molecular dynamics simulations [Parrinello-Rahman, Nose, crystals] 1102 90 Morita: Free Brownian motion of a particle driven by a dichotomous random force [SD, Leydolt, first passage] 1103 89 Moro: Models of conformational dynamics In: Dorfmller (ed.): Reactive and flexible molecules in liquids. Kluwer 1989. [Smoluchowski, rate processes, Kramers, localized functions] 1104 94 Moro: A cage model of liquids supported by MD simulations. I. The cage variables [SD, BD, solute-solvent interaction] 1756 99 Morriss: Definition of temperature in equilibrium and nonequilibrium systems. [Rugh, entropic, configurational temperature] 85 * Moss, McClintock (eds.): - Noise in nonlinear dynamical systems ZB 36259/1,2 (Contents: Xerox) [SD, coloured noise, GLE, DCR, Kramers] 1105 84 Mountain: SD simulation of particle aggregation [DLA, diffusion limited, Ermak-Buckholz, friction] 1106 91 Mountain: Computer simulation of fluid-fluid phase coexistence in mixtures of nonadditive soft disks [Phase separation, Demixing, GEMC, MD, 2D] 1107 92 Mountain: Loss of ergodicity in glassy systems [METH, fluctuation metric] 1108 90 Muehlberger: Repraesentation und Symbole. In: Die Anfaenge der Universitaet Wien; Ausstellung .. [Siegel, Szepter, Wappen] 86 * Mueller, B., und Reinhardt, J.: - Neural Networks. An Introduction. Springer 1990 ZB ?? [sehr gute Einfuehrung; Floppy mit Beispielen (kopiert); wenig ber Kohonen; einige Kapitel xeroxed] 1111 90 Mueller-Plathe Multi-colour algorithms vectorisation and parallelisation of internal forces and constraints [METH, vectorize, parallel, lists, SHAKE, CD, AP] 1112 90 Mueller-Plathe Parallelizing a MD algor workstation [METH, AP, Verlet list, neighbour list, Lit, parallel, vectorize] 1109 93 Mueller: Computer simulation study of the Rayleigh and Raman spectra of fluid N2 (Steele, Versmold) [PD, LS, collision induced light scattering] 1110 96 Mueller: Backone family of equations of state: 1. Nonpolar and polar pure fluids [GL] 1113 90 Mueller: Neural Networks (Auszge aus Buch, geliehen von Folk/ Linz) [Kohonen, Hopfield, backprop, Potts model, travelling salesman] 1775 87 Mulder Density-functional approach to smectic order in an aligned hard-rod fluid. [DFT, bifurcation, Onsager, second virial, LC] 1114 93 Munakata: Self-diffusion in non-Morkovian condensed-matter systems In: Noise in nonlinear dynamical systems, Moss, McClintock (eds.), ZB 36259/1,2 [GLE, SD, generalized Langevin] 1115 93 Murakami: Torque sensorless control in multidegree-of-freedom [robotics] 1116 95 Murakami: A robust control strategy of redundant manipulator by workspace observer [robotics] 1117 95a Murakami: A motion control strategy based on equivalent mass matrix in multidegree-of freedom manipulator [robotics] 1118 78 Murrell: Computer simulation of the cage effect in the photodissociation of iodine [PD, recombination] 1119 87 Murthy: Description of the molecular trajectories in simple liquids [LJ, AP, Singer, --> Seeley] 87 * Myint-U, Tyn: - PDE for scientists and engineers ZB 32629 [Computational, numerical, finite difference, Galerkin, Ritz, Lax-Wendroff] 1120 ****** N ****** 1702 90 Närger: Coexistence curve diameter and critical density of xenon. [power wheel, equation of state, EOF] 1122 .. N.N.: Das Hopfield-Modell (Auszug aus Buch) [NN] 1631 ** N.N.: Molecular order in soft condensed matter - liquid crystallinity. [LC, nematic, smectic, Maier-Saupe, introduction] 1123 56 Nagel: Goedel's Proof [SO] 1124 83 Nagel: Quench echoes [glass, quench, Grest, Rahman] 1125 92 Nakahara: Ostwald ripening in open systems [sintering, Lifschitz-Slyozov, LS, coarsening] 1126 82 Nakanishi: Free energy of mixing, phase stability, and local composition in LJ liquid mixtures [ML, MC, umbrella sampling, perturbation theory, variational technique, MD] 1127 83 Nakanishi: Surface spinodals and extended wetting in fluids and polymer solutions [PO, Landau theory] 1128 84 Nakanishi: Computer experiments on aqueous solutions. III. Monte Carlo calculation on the hydration of tertiary butyl alcohol in an infinitely dilute aqueous solution with a new water-butanol potential [MC, NVT, iceberg] 1694 06 Nasrabad: Monte Carlo simulation of fluid phase equilibria. to polymeric fluids. [MC, METH, tutorial] 1129 91 Natanson: The definition of reaction coordinates for reaction-path dynamics [reactive dynamics, rate processes] 1715 95 Neal: Molecular dynamics simulations of calamitic and discotic liquid crystals using a hybrid Gay-Berne Luckhurst Romano potential. [GB,LC,MD] 1716 98A Neal: Computer simulations using a quadrupolar Gay-Berne model. [LC,smectic C,GB,simulated annealing] 1717 98B Neal: Computer simulations using a longitudinal quadrupolar Gay-Berne model: effect of the quadrupole magnitude on the formation of the smectic phase. [GB,LC,MD] 1130 86 Nesbitt: Probability oscillations in single pass curve crossings: semiclassical predictions of nonmonotonic dependence on crossing velocity [Hynes, reactions] 1131 .. Nettel: Wave physics: Oscillations-Solitons-Chaos / Auszuege [modes, stretched strings, surface waves, nonlinear, solitons, inverse scattering] 1132 02 Neumann: Microscopic distribution functions, structure, and kinetic energy of liquid and solid neon: Quantum Monte Carlo simulations [Zoppi, neutron scattering, PIMC, path integral MC] 88 * Newton, I. / Mme. Chastellet: - Principes Mathematiques ... ZB 13984 1133 75 Nezbeda: MC study of the two-dimensional hard spherocylinder system [MC, nematics, SPT] 1134 82 Nezbeda: The site-site correlation function of molecular fluids I. Computation via zeroth order perturbation theory [RAM, GL]: 1135 90 Nezbeda: MC study of hard-body fluids at a hard wall: pure fluids and mixtures of spheres, heteronuclear dumbbells and linear triatomics [Lukac, GL, angular correlations] 1136 79 Nezbeda: Conjectures on fluids of hard spherocylinders, dumbells and spheres 1137 84 Nezbeda: On the possible equivalence of hard convex molecule fluids 1138 74 Ng: Hypernetted chain solution for the classical one-componet plasma up to Gamma=7000 [HNC, OCP, MC, PKF] 1139 88 Ngai: Slowing down of relaxation in a complex system by constraint dynamics [AP, KH] 89 * Niederreiter, H., and Shiue, J-Sh: - Monte Carlo and quasi-Monte Carlo methods in scientific computing zb 30986/106: Jg 1995 [simulated annealing, SA, random numbers, quantum Monte Carlo, QMC] 1140 03 Nieuwenhuizen Thermodynamics and small [non-weak coupling, Brownian, harmonic, Clausius] 1141 90 Nilsson: A time-saving algorithm for generalized Langevin dynamics simulations with arbitrary memory kernels [SD, Padro, METH], [*] 1565 92 Nishimura: Calculation of vapour-liquid equilibria of Lennard-Jones binary systems by the Gibbs ensemble Monte Carlo simulation. [GEMC, LJ, mixtures, phase transition, Nakanishi] 1142 79 Northrup: Short range caging effects for reactions in solution. I. Reaction rate constants and short range caging picture [PD, cage, Hynes] 1143 84 Nose: A unified formulation of the constant temperature MD methods [METH, NVT-MD, Hoover], [Linz 91] 1145 86 Nose: An extension of the canonical ensemble MD method [PIMC, MD, METH], [*] 1146 92 Nose: The development of Molecular Dynamics simulations in the 1980's [overview, MD, METH] 1147 01 Nose: An improved symplectic integrator for Nose-Poincare thermostat [Hoover] 1148 66 Nossal: Momentum autocorrelation function for systems with finite space boundaries [VACF, Eder, KH] 1149 ****** O ****** 92 * O'Rear: - Physik (Physics) (ca. 56 DM) 1150 96 Ohnishi: Motion control for advanced mechatronics [robotics] 90 * Ohno, K., Esfarjani, K., Kawazoe, Y.: - Computational materials science. From ab initio to Monte Carlo methods. ZB ... [simulated annealing, SA, genetic algorithms] 1151 99 Ohno: SA and GA as global optimization methods In: Ohno, K., Esfarjani, K., Kawazoe, Y.: Computational materials science. From ab initio to Monte Carlo methods. [simulated annealing, SA, genetic algorithms] 1152 99a Ohno: Ab initio methods In: Ohno, K., Esfarjani, K., Kawazoe, Y.: Computational materials science. From ab initio to Monte Carlo methods. [CP, Car-Parrinello, density functional MD, DFMD] 1153 92 Ohtaki: Molecular aspects on the dissolution and nucleation of ionic crystals in water [ions] 1154 93 Ohtaki: Dissolution and nucleation phenomena of salts in water. Molecular dynamic approaches and supporting solution X-ray diffraction measurements [LiCl, NaCl, CsF, ions, water] 1155 00 Okumura: Liquid-vapor coexistence curves of several interatomic model potentials [NPT, test particle] 1156 01 Okumura: Reliable determination of the liquid-vapor critical point by the NVT plus test particle method [] 1682 01 Olenik: Glasslike character of molecular ordering in discotic lyomesophases. [LC, columnar] 1157 93 Opitz: On the order of the herringbone transition of N2 on graphite: A MC study [2-d, adsorption, phase transition] 91 * Oppenheim, A.V., Willsky, A.S.: - Signale und Systeme (Lehrbuch) ZB 32460 [Fourieranalyse, Abtastung, Sampling] 1158 .. Oppenheim: Nuclear spin relaxation in gases and liquids. I. Correlation functions [PD, SD] 1751 06 Orlandi: A Monte Carlo study of the mesophases formed by polar bent-shaped molecules. [banana, 3GB, dipoles, LC, EDMD] 1159 95 Overgaard: A general algorithm for dynamic control of multilink robots [Perram, inverse kinematics, Lagrangian eom] 1160 76 Oxtoby: On vibrational relaxation in liquids [dephasing] 1161 ******* P ****** 1162 97a Padilla: The isotropic-nematic transition for the hard Gaussian overlap fluid: Testing the decoupling approximation (J.Chem.Phys., Vol.106, No.24, 22 June 1997) [Steele, Berne-Pechukas, DA, Gay-Berne] 1606 97 Padilla: The isotropic-nematic transition for the hard Gaussian overlap fluid: Testing the decoupling approximation. [Steele, Berne-Pechukas, DA] 1163 86 Padro: Langevin dynamics simulation of LJ liquids. An analysis of solute concentration influence [SD] 1164 88 Padro: On the use of effective memory functions in generalized Langevin dynamics simulation of interacting particles [SD] 1165 91 Padro: Computer simulation study of the dynamic cross-correlations in liquids [SD, velocity cross correlations],[*] 93 * Pagels, Heinz R.: - Dream of Reason ZB 30849 [CA, neural networks, complexity] 1680 04 Pal: Monte Carlo simulation of the nematic-isotropic transition in an isothermal-isobaric ensemble. [MC, Swendsen, multiple histogram] 1166 91 Palinkas: MD investigation of the inter- and intramolecular motions in liquid methanol and methanol-water mixtures [flexible models, AP, diffusion, Heinzinger] 1167 94 Palke: Computer simulation of the behaviour of a solute in a model liquid crystalline solvent [Emsley, Tildesley, nematics, GB, Gay-Berne, benzene, smectic] 1168 89 Palmer: MC integration of the repeated ring equation for the Lorentz gas (Palmer, Keyes) [KH, PD] 1169 92a Parlinski: Annealing of tweed microstructure in high-Tc superconductors studied by a computer simulation [MD, 2-D, FK] 1170 92b Parlinski: Origin of tweed texture in the simulation of a cuprate superconductor [MD, FK, 2-D, coarsening] 1171 89 Parnas: BD of freely jointed chains: Chain conformation with excluded volume effects [bead-rod chain, polymers, Brownian dynamics] 1172 91 Parnas: Response of a terminally anchored polymer chain to simple shear flow [bead-rod chain, BD, gyration radius] 1173 .. Parrinello: An initio MD [Car-Parrinello, CP, density functional, carbon, alloys] 1174 84 Parrinello: Study of an F center in molten KCl [QM, PIMC] 1175 79 Parsons: Nematic ordering in a system of rods [DFT, density functional, HSC, LC] 94 * Pasini, P., and Zannoni, C.: - Advances in the computer simulation of liquid crystals ZB 29408/C,545: Jg 1999 [Allen, Frenkel, Hess] 1176 89 Pastor: Inertial effects in butane stochastic dynamics [SD, AP, BD] 1177 92 Patarinski: Mechanics, electronics, and the control of robot arms: mechatronics approach [inverse kinematics, robotics] 1178 99 Pate: The thermodynamic cube: A mnemonic and learning device for students of classical thermodynamics [Maxwell square, chemical potential, Fox] 1179 92 Pavlovich: Sintering of crystalline solids: new modelizazion techniques [sintering, bulk diffusion, surface diffusion, coarsening] 95 * Peebles, Peyton Z.: - Probability, random variables, and random signal principles ZB 32528 (+Manual) [random processes] 1180 94 Pergamenshchik: Comments on "Resummation of higher order .. " (Faetti et al.) [liquid crystals, nematics, surface, K13] 1609 98 Pergamenshchik: Nonideal surface and boundary condition for the nematic director. [LC, K13] 1181 88 Periasamy: Diffusion controlled reactions: Experimental verification of the time-dependent rate equation [reactions, ions, quenched fluorescence] 1182 88 Peters: Superfluidity of a two-dimensional Bose-Coulomb gas [QM, PIMC, Alder], [Linz 91] 96 * Peterson, Ivars: - Newton's Clock / Chaos in the Solar System ZB 37423 [Computational Physics, digital orrery, SO] 1183 94 Peterson: Newton's Clock / Chaos in the Solar System [Computational Physics, SO, digital orrery] 1184 98 Petravic: Approach to the nonequilibrium time-periodic state in a steady shear flow model [Evans, NEMD, SLLOD, Lees-Edwards, LRT, linear response] 97 * Peyret, Taylor: - Computational methods for fluid flow ZB 31314 [Hydrodynamik, Computational Physics] 98 * Pfeiffer,F., Reithmeier,E.: - Roboterdynamik ZB 21942 [Wittenburg, Lagrange] 1185 03 Physikdidaktik: Physik und Didaktik in Schule und Hochschule [Autoreninformationen] 1186 71 Pietschmann: Der gute Vortrag [SO] 99 * Pires, A., Landau, D. P., Hermann, H., - Workshop on Computational Physics and Cellular Automata ZB 33547 [CA, Rayleigh-Benard, SPC, NN(review), GFMC(review)] 1187 95 Pirker: Das Raetsel um die erste klinische Roentgenaufnahme - geloest [SO] 1188 91 Plotz: MC simulation of epitaxial growth [MC, ME, 2D, directional LJ, surface, Linz] 1189 94 Polimeno: A cage model of liquids supported by MD simulations. II. The stochastic model [Moro, SD, BD, solute-solvent interaction] 1190 95 Polimeno: Rotational dynamics of axially symmetric solutes in isotropic liquids. I. A collective cage description from MD simulations [Moro, SD, BD, solute-solvent interaction] 1191 86 Pollak: Transition state theory for tunneling in dissipative media [SD, TST, Grote-Hynes] 1192 89 Pollak: Theory of activated rate processes for arbitrary frequency dependent friction: solution to the turnover problem [reactions, GLE, Kramers, Grote-Hynes, normal mode analysis, SD], [*] 1610 97 Polson: Monte Carlo simulations of solute ordering in nematic liquid crystals: Shape anisotropy and quadrupole-quadrupole interactions as orienting mechanisms. [LC, MC, nematic, Terzis, hard ellipsoids] 1193 88 Poniwierski: Density functional theory for nematic and smectic A ordering of hard spherocylinders [HSC, LC, DFT] 1194 81 Posch: Atomic pair dynamics in a Lennard-Jones fluid: Comparison of theory with computer simulation [Steele, Vesely, stochastic dynamics, Langevon, hydrodynamic interaction, Oseen] 1195 84 Posch: On the relative dynamics of pairs of atoms in simple liquids [SD, PD] 1196 86 Posch: Canonical dynamics of the Nose oscillator: Stability, order, and chaos [FR, Nose, Ljapunov] 1197 89 Posch: Equilibrium and nonequilibrium Lyapunov spectra for dense fluids and solids (H.A.Posch, W.G.Hoover) [FR, NEMD, Ljapunov] 1198 88 Posch: Lyapunov instability of dense Lennard-Jones fluids (H.A.Posch, W.G.Hoover) [FR] 1200 90 Posch: Time-reversible molecular motion and macroscopic irreversibility [NEMD, Loschmidt] 1202 91 Posch: Externally perturbed unstable systems [cluster, collapse] 1204 92 Posch: NEMD of classical fluids [NEMD, Lyapunov, multifractal strange attractor, Couette flow, time-reversible thermostat] 1205 97 Posch: Simulation of two-dimensional Kolmogorov flow with smooth particle applied mechanics [SPAM, hydrodynamics] 02 Posch: Multifractal phase-space distributions for stationary nonequilibrium systems 1625 04 Posch: Large-system phase-space dimensionality loss in stationary heat flows. [thermostat, Nose, Hoover, NEMD] 1644 02 Posch: Multifractal phase-space distributions for stationary nonequilibrium systems. [Hirschl, Hoover, Ljapunov] 1206 72 Pound: Homogeneous nucleation from the vapour [Lothe-Pound, sinter, GL, phase transitions] 1207 84 Powles: Fractal geometry and Brownian motion: A new parameter to describe molecular motion [FR, AP] 100 * Prassides, Kosmas: - Physics and Chemistry of the Fullerenes ZB 029408/c,443 [CP, Car-Parrinello, Andreoni]i 1208 86 Preining: Marian Smoluchowski, Ritter von Smolan [Biographie, historisch] 1577 ** Press Random numbers [Numerical recipes] 1209 89 Press: Fourier transforms of real data in two and three dimensions [numerical recipes, METH] 1623 ** Press: Uniform deviates. [METH, numerical recipes, random numbers] 1696 06 Pruessner: Classical density functional theory. Theory versus Monte Carlo experiments. [DFT] 1649 95 Purdy: Nematic phase transitions in mixtures of thin and thick colloidal rods [Varga, Onsager, Fraden] 1662 02 Purdy: Measuring the nematic order of colloidal fd virus by X-ray diffraction. [Dogic, Koda] 1210 ****** Q ****** 1212 *96 Qian Recent Advances in Lattice Boltzmann Computing, (Y.H. Qian and S. Succi and S.A. Orszag, in: Stauffer, D.: Annual Reviews of Computational Physics III, 1996) [METH, KH, Hydrodynamics] 1211 75 Quentrec: Angular correlations and rotational motion in computer-simulated nitrogen 1213 ****** R ****** 1214 97 Rabani: Calculating the hopping rate for self-diffusion on rough potential energy surfaces: Cage correlations [Zeidler, Zwanzig] 1215 81 Rabouw: Three particles on a ring [Tonks, Kasperkovitz] 1216 95 Rahmanian: Collision-avoidance control for redundant articulated robots [robotics] 1217 89 Raimann: Monte Carlo simulations of slip corrections of spheres and cubes (G.Raimann, H.Horvath, R.Hitzenberger) [KH, SO] 1219 89 Raineri: Velocity correlations in the MD ensemble: Computation of the distinct diffusion coefficients [KH, METH, PD, Friedman] 1220 94 Ram: Solution of the Percus-Yevick equation for pair correlation functions of molecular fluids. [PY, GB, gay-Berne, ] 101 * Rapaport: - The art of molecular dynamics simulation [1995] 1221 92 Rapaport: Temporal periodicity in microscopic simulation of Rayleigh-Benard convection [METH, MD, KH] 1222 88 Rapaport: MD: a new approach to hydrodynamics? [KH, METH], [Linz 91] 1224 .. Rapoport: Escape from paradox [prisoners' dilemma] 102 * Rasband, S. N.: - Chaotic Dynamics of Nonlinear Systems ZB 33741 [maps, Ljapunov, Poincare, Lorenz, devil's staircase, complexity],[*],[Buch: Beispiele aus nichlinearer Dynamik] 1597 02 Rasmussen: Induced freezing and re-entrant melting in the hard-disc fluid; application of the fundamental measure functional. [DFT, Rosenfeld, FMT] 1223 89 Ray: Low temperatur phase transformation in superionic conductors: A MD study of silver sulfide [METH, Parrinello-Rahman, Ag2S] 1225 77 Rebertus: Molecular dynamics simulation of a fluid of hard spherocylinders [scaled particle, MC, order parameter] 1226 91 Recamier: Vibration-translation energy transfer in a collision between an atom and a Morse oscillator [transition probability, PD, berthermische Energien] 1227 88 Reddy: Temperature dependence of conductance of the LI+, Cs+, and Cl- ions in water: MD simulation [ML, KH] 1228 04 Reichl: Pedestrian comfort analysis in large scale urban building projects [Mann, Arsenal, Paracelsus] 1602 59 Reiss Statistical mechanics of rigid spheres. [Frisch, Lebowitz, scaled particle, SPT] 1229 94 Reitberger: Coupled Cavity Modes [2 harmonic quantum oscillators, intensity correlation] 1230 92 Rey: Friction kernels for the relative dynamics of ion pairs in water (Guardia, Padro) [pair dynamics, PD] 1231 89 Reynolds: Green's function MC: from Statistical Mechanics to Quantum Mechanics and back (aus: Computational Physics and cellular automata. A.Pires, D.P.Landau, H.Herrmann, eds.; ZB 33547) [QM, GFMC, review] 1681 03 Reznikov: Ferroelectric nematic suspension. [LC] 1232 .. Rhines: Channel network decay in sintering [coarsening, topological analysis, pores] 1233 98 Rickayzen: A model for the study of the structure of hard molecular fluids [Percus-Yevick, spherocylinders, ellipsoids] 1234 89 Rigby: Hard gaussian overlap fluids [Berne-Pechukas, MC] 1684 99 Ritchie: Fast computation, rotation, and comparison of low resolution spherical harmonic molecular surfaces. [METH] 1685 ** Ritchie: Molecular shape recognition using 3D polar Fourier correlations. [spherical harmonics, LC, METH] 1235 88 Ritt: Die Programmiersprache C - Grundbegriffe und physikalische Anwendungen auf einem PC [SO, C, TURBO-C] 103 * Ritter, H., Martinetz, Th., Schulten, K - Neuronale Netze (Addison-Wesley 1990) ZB ?? [Kohonen, Hopfield, Robotik, einige Kapitel xeroxed] 1236 90 Ritter: Neuronale Netze (Auszge aus Buch / geliehen von Folk/ Linz) [Kohonen] 1237 89 Rodger: On the accuracy of some common MD algorithms [METH, CD, Verlet, Beeman] 104 * Rogers, D. W.: - Computational Chemistry using the PC ZB 35344 [Numerische Methoden, CP] 105 * Rogers, S.K., Kabrisky, M., eds: - An introduction to biological and artificial neural networks for pattern recognition ZB 32313/4 [NN, Kohonen, backprop, Hopfield, Rumelhart, overview, gut!] 106 * Rohlf, J. W.: - Modern Physics from alpha to Z0 ZB 36562 [*, gut, examples, problems, Rechenuebungen, Beispiele] 107 * Rojas, R.: - Theorie der neuronalen Netze. Eine systematische Einfuehrung. Springer 1993. ZB 33100/29 [McCulloch-Pitts, perceptron, backpropagation, NP-complete problems, travelling salesman, fuzzy logic, Hebb, Hopfield, stochastic algorithms, Boltzmann machines, Kohonen, genetic algorithms, pseudoinverse, 1238 96 Ron: Compactly supported tight affine spline frames in L2(Rd) [Georgi, wavelets, box splines] 108 * Ronchetti, M., und Jacucci, G.: - Simulation approach to solids ZB 33264 [reprints, Rahman-Parrinello, Car-Parrinello, PIMC, hydrogen in metals, Gillan] 1239 89 Root: Short-range order in glycerol. A MD study [Stillinger, united atoms, AP] 1573 89 Rosenfeld Free-energy model for the inhomogeneous hard sphere fluid mixture and density functional theory of freezing [dft, direct correlation function, fundamental measure] 1240 86 Rosenfeld: Fluids in contact with a hard surface: Universality of bridge functions for the density profile [HNC, interface, Blum] 1241 96 Rosenfeld: Close-packed configurations, symmetry breaking, and the freezing transition in density functional theory [DFT, fundamental measure] 1242 97a Rosenfeld: Fundamental measure free energy density functional for hard spheres: dimensional crossover and freezing [Tarazona, Loewen, DFT] 1243 98 Rosenfeld: Density functional theory and the asymptotic high density expansion of the free energy of classical solids and fluids [Tarazona, DFT, LC, HS] 1598 97 Rosenfeld: Fundamental measure free energy density functional for hard spheres: Dimensional crossover and freezing. [DFT, FMT, Schmidt, Tarazona, scaled, PY, phase transition] 1599 90 Rosenfeld: Free-energy model for the inhomogeneous hard sphere fluid in D dimensions: Structure factors for the hard disk (D=2) mixtures in simple explicit form. [DFT, FMT, mixtures] 1692 94 Rosenfeld: Phase separation of asymmetric binary hard-sphere fluids: Self-consistent density functional theory. [DFT] 1244 89 Ross: Intermolecular potential for liquid argon [AP] 1245 00 Roth: Depletion potential in hard-sphere mixtures: Theory and applications [Evans, DFT, density functional, additive hard spheres, Asakura-Oosawa] 109 * Rothman, Daniel H., ans Zaleski, Stepha - Lattice-Gas Cellular Automata / Simple models of complex hydrodynamics ZB 035796/5 [*, lattice gas, lattice Boltzmann, FCHC, FHP, HPP] 1246 88 Rothman: Immiscible cellular-automaton fluids (D.H.Rothman, J.M.Keller) [cellular automata, CA, lattice gas, surface tension] 1247 92 Roux: Simulation of supercooled atomic and Brownian systems; comparison with mode coupling theory [MCT, glass, kinetic glass transition] 1248 90 Rovere: The gas-liquid transition of the two-dimensional Lennard-Jones fluid (with Heermann, Binder) [2D, LJ] 1249 93 Rovere: Simulation studies of gas-liquid transitions in 2 dimensions via a subsystem-block-density distribution analysis (mit K. Binder) [finite size scaling, Ising, Lennard-Jones] 110 * Royal Society, The: - Newton's Principia and its legacy ZB 32655 [Chaotic dynamics, Lorenz attractor (and Navier-Stokes)] 1251 90 Ruemelin: Simulation of fractional Brownian motion [SD, FR, METH], [*] 1757 97 Rugh: Dynamical approach to temperature. and nonequilibrium systems. [configurational temperature] 1250 .. Rumelhart: Learning internal representation by error propagation [NN] 1253 ** Runge: Runge-Kutta methods (Xerox-Auszug) [Runge-Kutta] 1252 89 Rustad: NEMD of liquid sulfur in Couette flow [METH, 3body, AP], [Linz 91] 1254 90 Rycerz: MD simulation program of order N for condensed matter [METH, scalar pyramid] 1255 75 Ryckaert: Molecular dynamics of liquid in-Butane near its boiling point [METH, CD, constraints] 1256 77 Ryckaert: Numerical integration of the Cartesian equations of motion of a system with constraints: MD of n-alkanes [CD, holonomic, constraint dynamics] 1257 78 Ryckaert: Molecular dynamics of liquid alkanes [METH, CD, constraints] 1258 85 Ryckaert: Special geometrical constraints in the molecular dynamics of chain molecules [METH, CD, generalized constraints] 1259 ****** S ****** 1260 94 Samborski: Binary hard sphere, hard ellipsoidal liquid crystal mixtures [Glenn Evans, nematics, density functional theory, DFT, hard convex bodies, direct correlation, phase transition, phase separation] 1261 86 Sander: Fractal growth processes [FR, DCA, diffusion controlled aggregation] 1718 96 Sandström: Orientational order in a liquid crystalline mixture studied by molecular dynamics simulation and NMR. [LC,GB,MD,NVT,Maliniak] 1262 93 Sarman: Self-diffusion and heat flow in isotropic and liquid crystal phases of the Gay-Berne fluid [Evans, GB, nematics] 1263 93a Sarman: Self-diffusion of rodlike molecules in strong shear fields [Evans, GB, nematics] 1264 93b Sarman: Statistical mechanics of viscous flow in nematic fluids [Evans, SLLOD, NEMD] 1265 88 Schatz: Quantum effects in gas phase bimolecular chemical reactions [PD, rate processes] 111 * Scheck, F.: - Mechanik: Von den Newtonschen Gesetzen zum deterministischen Chaos ZB 33100 (ges. Dez.91) [2-Koerper-Problem; kanonische Mechanik; Zwangsbedingungen; constraints; Noether-Theorem; symplektische Gruppe; Chaos; FR] 1641 03 Scheidler: The relaxation dynamics of a supercooled liquid confined by rough walls. [Binder, MD, LJ, structural relaxation] 1266 91 Scheringer: Orientational Ordering in Lipid Monolayers: A Two- Dimensional Model of Rigid Rods Grafted to a Lattice [MC] 1267 90 Scheunders: Long-time tail of the velocity autocorrelation function in the Lorentz lattice gas [KH, Frenkel] 1268 04 Schilling: Self-poisoning of crystal nuclei in hard-rod liquids [Frenkel, colloid, spherocylinder] 1766 98 Schlacken: Orientational transitions of two-dimensional hard rod fluids. [hard ellipses, LC, nematic, scaled, excluded volume] 1280 92 Schler: A parallel implementation of the COLUMBUS multireference configuration interaction program [Lischka, coarse grain parallelization, ] 112 * Schmid, E.W., Spitz, G., Loesch, W.: - Physikalische Simulationen mit dem PC ZB 37339 [METH, Gauss-Legendre, Runge-Kutta, RK, SOR, Successive overrelaxation, Potentialgleichung, QM] 1269 90 Schmidt: Optimized He4-wave functions using MC integration In: Aguilera-Navarro (ed.): Condensed matter theories, Vol. 5 Plenum, N.Y. 1990 [HNC, Jastrow correlation] 1270 00 Schmidt: Density functional for a model colloid-polymer mixture [DFT, demixing] 1271 03 Schmidt: Geometry-based density functional theory: an overview [Rosenfeld, fundamental measure, DFT] 1272 87 Schneider: Epitaxial growth of silicon: a MD simulation [Rahman, MD, ME, SW, Stillinger-Weber, surface] 1273 93 Schneider: Fuehrer durch die Stroemungslehre / Auszuege (aus: L. Prandtl et al.) [Navier-Stokes, KH, SD, friction, viscosity, suspensions, BD] 1274 73 Schneider: Computer simulations of first-order phase transitions [Stoll, film, movie, bolero, Ising, MC] 1700 73a Schneider: Computer simulation of a discontinuous phase transition in the two-dimensional one-spin-flip Ising model. [Stoll, clusters] 1275 86 Schoen: Static and dynamic cross correlation in thermodynamically stable and unstable systems. II. MD studies on LJ systems consisting of particles of unequal size (Schoen, Hoheisl) [AP, ML, mixtures] 1276 86a Schoen: Computation and analysis of the total dynamic structure factor S(k,omega) for small wave vectors. A MD study for LJ liquid mixtures [Hoheisel] 1277 89 Schoen: Structure of a simple MD FORTRAN program optimized for CRAY vector processing computers [METH, vectorize, neighbour lists] 1627 98 Schoen: Solvation forces in thin films confined between macroscopically curved substrates. [LC, GB, GCMC, film] 113 * Schram, P.P.J.M.: - Kinetic Theory of Gases and Plasmas ZB 29286/46 (1991) [*, Chapman-Enskog, linear response, Brownian Motion, ...] 114 * Schroeder, M.: - Fractals, chaos, power laws; minutes from an infinite paradise Freeman, New York .. ZB 33745 [Contents!],[FR, ...] 1278 72 Schuster: Vom Makromolekuel zur primitiven Zelle - die Entstehung biologischer Funktion [Chemische Evolution, molecular evolution] 1279 80 Schuster: Prebiotic Evolution [SO] 1281 90 Schwarz: Polytype structures of Lithium at low temperatures [SO, Blaschko] 1282 02 Schweickert: Einbindung von Multimedia-Elementen in existierende Physikkurse [Physik und Didaktik in Schule und Hochschule] 1283 81 Schweizer: Convenient and accurate discretized path integral methods for equilibrium quantum mechanical calculations [QM, PIMC, Chandler, Wolynes] 1284 82 Schweizer: Vibrational dephasing and frequency shifts of polyatomic molecules in solution [Chandler, relaxation, solvent, Raman] 1285 94 Scott: Molecular dynamics study of the mixing and demixing of a binary Lennard-Jones fluid [Phase separation, MD] 1774 95 Sear Stability of the nematic phase of a mixture of aligned cylinders with respect to the smectic and columnar phases. [LC, Jackson, demixing] 1683 05 Sear: Depletion induced demixing in polydisperse mixtures of hard spheres. [] 1286 .. Seeley: Collision induced light scattering and fractal geometry [CILS, FR] 1287 89 Seeley: Normal mode analysis of liquid state dynamics [normal mode analysis, AP, KH] 1288 91 Selberherr: Institute for Microelectronics / TU Wien, Annual Review [Langer, SO, ULSI circuits, computer aided design, alpha technology, Digital Equ., DEC] 1289 93 Self-organized criticality:: Literaturuebersicht [Pak, avalanches, ...] 1290 87 Selloni: Localization, hopping, and diffusion of electrons in molten salts [CP, Car, QMD, K-KCl] 1291 99 Sengupta: Elastic constants from microscopic strain fluctuations [finite size scaling, MD, MC] 1292 90 Sese: On the description of atomic motions in dense fluids by the generalized Langevin equation: statistical properties of random forces (Guardia, Padro) [stochastic dynamics, SD] 1293 85 Sevilla: A fast algorithm to calculate shortest distances between linear segments and angular averages for soft repulsive potentials depending on shortest distances [] 1294 89 Shackleford: Neural data structures: programming with neurons [NN, SO, Hopfield, travelling salesman] 1295 76 Shampine: Solving nonstiff ordinary differential equations - the state of the art [METH, ODE, algorithms] 1296 89 Sherrington: Spin glasses and neural networks (aus: Taylor-Mannion, eds.: New developments in neural computing; ZB 33349) [NN] 1297 92 Shing: A new simulation method for the grand canonical ensemble [GCMC, METH] 1298 88 Shlesinger: Fractal time in condensed matter [stretched exponentials, glass] 1299 91 Shurygin: Space dispersion of structural relaxation in simple liquids [Voronoi, de Gennes, non-Markov relaxation] 115 * Shyy, Wei: - Computational Modeling for Fluid Flow and Interfacial Transport ZB 37444/5 [PDE, Finite differences, KH, hydrodynamics] 1300 92 Siepmann: Configurational bias Monte Carlo: a new sampling scheme for flexible chains [Frenkel, Rosenbluth] 1301 91 Silver: Dynamics of the Anderson model for dilute magnetic alloys: a quantum MonteCarlo and maximum entropy study (Aus: Condensed Matter Theories, Vol. 6; ZB 32503/6) [Kondo, QMC] 1302 72 Singer: MC calculation of thermodynamic properties of binary mixtures of LJ (12-6) liquids [ML, Lorentz-Berthelot, GL] 1303 86 Singer: Semiclassical many-particle dynamics with Gaussian wave packets [METH, QM, WPD] 1304 95 Singer: Quantum dynamics by stochastic trajectories in phase space [Wigner] 1650 58 Singer: Use of Gaussian functions for intermolecular potentials. [Lennard-Jones Lines, LJL, LJ] 1305 90 Singh: Monte Carlo simulation of phase equilibria for the two-dimensional Lennard-Jones fluid in the Gibbs ensemble [2DLJ, MC, GEMC, de Pablo] 1306 98 Skarabot: The smectic-A - smectic-C phase transition in submicron confined geometry [Blinc, LC] 1307 98 Slavinec: Annihilation of nematic point defects within a cylindrical tube [LC, Kralj, Frank free energy] 1781 89 Sluckin Polydispersivity in liquid crystal systems. [isotropic, smectic, nematic, Maier-Saupe, Onsager] 1308 89 Smit: Calculation of the chemical potential in the Gibbs ensemble [Frenkel, GEMC] 1309 89A Smit: Computer simulation in the Gibbs ensemble [Frenkel, GEMC, METH] 1310 91 Smit: Vapor-liquid equilibria of the two-dimensional Lennard-Jones fluid(s) [Frenkel, GEMC] 1311 89 Smith L.: Implementing neural nets (aus: Taylor-Mannion, eds.: New developments in neural computing; ZB 33349) [NN, METH] 1315 89 Smith R.: Algorithms for MD simulations of keV particle bombardment [METH, atomic collisions, adjustable time step, algorithms] 1316 89 Smith W: A MD study of the crystalline phases of potassium nitrate [KNO3, METH, NPT, quaternions, Parrinello-Rahman] [Linz 91] 1312 82 Smith: Simulation of 2D systems with 2D electrostatics. I. Periodic boundary conditions [METH, lattice sums, dipolar molecules] 1313 90a Smith: Generalized Brownian dynamics. I. Numerical integration of the generalized Langevin equation through autoregressive modelling of the memory function (D.E.Smith,C.B.Harris) [SD] 1314 90b Smith: Generalized Brownian dynamics. II. Vibrational relaxation of diatomic molecules in solution (D.E.Smith,C.B.Harris) [SD, ML, iodine in xenon, AP] 1317 16 Smoluchowski: Drei Vortraege ueber Diffusion, Brownsche Molekularbewegung und Koagulation von Kolloidteilchen [SD, first passage] 1318 85 Sokolic: Molecular dynamics simulations of thermodynamic and structural properties of liquid SO2 [coexistence curve, diffusion constant] 1319 01 Somoza: Liquid crystal phases of capped carbon nanotubes [DFT, LC, screening, smectic, nematic] 1320 89 Somoza: Density functional approximation for hard-body liquid crystals [DFT, LC, HSC] 1614 90 Somoza: Nematic and smectic liquid crystals of hard spherocylinders. [LC, DFT, nematic] 1321 88 Sompolinsky: Statistical mechanics of neural networks [NN] 1322 02 Sonde: Todesfalle Tunnel [tunnell fire, Tunnelfeuer, Paracelsus] 1323 03 Song: Nematic liquid crystallinity of multiwall carbon nanotubes [Windle, lyotropic processing routes] 1750 90 Song: Analytical equation of state for molecular fluids: Kihara model for rodlike molecules. [hard convex bodies,second virial, blip function, linear,LC] 1324 91 Sotiropoulos: The discrete continuity equation in primitive variable solutions of incompressible flow [METH, CP, Navier-Stokes] 1325 89 Speedy: Diffusion in simple fluids [Zeidler, LJ] 1326 91 Spigler: Applied and industrial mathematics (Contents of book) [Kang-Artikel] 1327 90 Sprik: Quantum simulation of hydrated electrons [PIMC, adiabatic, QM, METH] 1328 84a Srolovitz: Computer simulation of grain growth - II. Grain size distribution, topology, and local dynamics [Sintern, sinter, Grest, MC] 1329 84b Srolovitz: Computer simulation of grain growth - III. Influence of particle dispersion [Sintern, sinter, Grest, MC] 1330 85 Srolovitz: Computer simulation of grain growth - V. Abnormal grain growth [Sintern, sinter, Grest, MC] 1331 90 Stapleton: Application of excluded volume map sampling to phase equilibrium calculations in the Gibbs ensemble [Panagiotopoulos, GEMC] 1332 .. Stariolo: Optimization by simulated annealing: recent progress [generalized simulated annealing] 116 * Stauffer,D., Hehl,F.W., Winkelmann,V., - Computer Simulation and Computer Algebra (Kap.2 (Monte Carlo in Statistical Mechanics) auch auf Xerox!) ZB 32475 [Cellular automata, Monte Carlo, random numbers, Creutz demon] 1333 88 Stauffer: Simulationen von Zellularautomaten [CA, Q2R, Ising, MC] 1334 89 Stauffer: MC in Statistical Physics, in Stauffer et al. (eds.): Computer Simulation and Computer Algebra, ZB 32475 [Cellular automata, Monte Carlo, random numbers, Creutz demon] 1335 .. Stauffer: Random number generation [Kirkpatrick-Stoll, R250, in: Hoffmann/Schreiber, Comp. Phys] 1336 .. Steele: Reorientation of small molecules in liquids [PD, cross correlations, cumulants, memory], [*] 1337 89 Steele: Relative motion of pairs of molecules in dense fluids In: Dorfmller (ed.): Reactive and flexible molecules in liquids. Kluwer 1989. [cumulant theory, PD, rotation, translation] 1704 73 Steele: Statistical mechanics of linear molecules. VII. Application of blip function theory to dense fluids. [Sandler, diatomics] 1338 95 Stelzer: Surface anchoring strengths of nematic liquid crystals from MD simulations [Gay-Berne, GB] 1339 97B Stelzer: Polynomial expansion for cylindrical domain walls in nematics [Elastic constants] 1340 97C Stelzer: Elastic constants of the Gay-Berne discotic nematic liquid crystal [NpT-MC, Gay-Berne] 1341 97A Stelzer: Surface-induced order parameter profiles in a nematic liquid crystal from molecular dynamics simulations [Smectic C, Gay-Berne] 1342 97 Stelzer: Rapini-Papoular constants in a model nematic liquid crystal [Gay-Berne, Anchoring, DFT] 1725 97 Stelzer: Surface-induced order parameter profiles in a nematic liquid crystal from molecular dynamics simulations. [MD,GB,LC,smectic] 1343 90 Stepanyuk: MD modeling of structural variations in a Ni-P system upon deep cooling and subsequent heating [quench, structural relaxatio, Moskau] 1344 9x Stepanyuk: Diverse reprints 90-92 1345 27 Stetter: Ziele und Methoden der Atomzertruemmerung [SO] 1346 36 Stetter: Die Zertruemmerbarkeit der Elemente; Ergebnisse nach aelteren und neueren Methoden [SO] 117 * Stewart, Ian: - Does God Play Dice?: The Mathematics of Chaos ZB 33282 [chaos, FR] 118 * Stoffel, A.: - Finite Elemente und Wrmeleitung ZB 35727 [FE, finite elements, Galerkin] 1347 .. Stoffel: Stationaere Waermeleitvorgnge, in: "Finite Elemente und Wrmeleitung", ZB 35727 [finite elements, FE, Galerkin, Minimumsprinzip] 1348 89 Stoker: MD simulation of real-fluid mutual diffusion coefficients with the LJ potential model [CCL4, AP, PD, KH] 1726 xx Stonescu: Anchoring transition dominated by surface memory effect. [nematic,LC] 1727 yy Stonescu: Long-time behavior of the azimuthal anchoring strength and easy axis gliding of nematic liquid crystal. [LC] 1349 92 Straatsma: Computational alchemy (with J.A. McCammon) [free energy, METH] 1608 89 Strang: Wavelets and dilation equations: A brief introduction. [] 1350 85a Straub: A rapid method for determining rate constants by MD [Berne, activated barrier crossing, reactions, PD, SD, transition state] 1351 85b Straub: Shortcomings of current theories of non-Markovian activated rate processes [reactions, Grote-Hynes, PD] 1352 86 Straub: Non-Markovian activated rate processes: Comparison of current theories with numerical simulation data [SD, PD, reactions, Kramers, Grote-Hynes],[*] 1353 88 Straub: MD study of an isomerizing diatomic in a LJ fluid [AP, reaction,Berne, SD, TST, Grote-Hynes] [*] 1354 99 Strnad: An extended Gibbs ensemble [Nezbeda, Kolafa, scaled particle] 1355 03 Stucke: Predictions of new crystalline states for assemblies of nanoparticles: perovskite analogues and 3-D arrays of self-assembled nanowires [Crespi, genetic search] 1356 90 Succi: Lattice Boltzmann computing on the IBM 3090 vector multiprocessor [LBE, hydrodynamics, 2D, 3D] 1357 88 Sussman: Numerical evidence that the motion of pluto is chaotic [mit Wisdom, digital orrery, symplectic, accuracy, Lyapunov] 1358 89 Swatek: Was kommt nach CIP? Die Ausstattung der Hochschulen mit Rechnern in der Lehre, ... [CP-Lehre] 1359 ****** T ****** 119 * Tabor, M.: - Chaos and integrability in nonlinear dynamics ZB 35697 [excellent, *, Lagrange theory, Hamilton theory, fixed points, driven oscillator, KAM-theorem, WKB, Fermi-Pasta-Ulam, turbulence, attractors, Poincare, Lorenz, logistic map, Feigenbaum, stadium, solitons, KdV] 1360 88 Tachiya: Breakdown of the Onsager theory of geminate ion recombination [SO, recollision] 1361 95 Tahir Shah: Evolution of the cellular communication system: An analysis of the computational paradigm [SO] 1758 00 Takatsuka: Microcanonical temperature and its Arrhenius relation to lifetimes in isomerization dynamics of clusters. [Rugh, configurational temperature] 1362 89 Tan: Hard-sphere mixture near a hard wall [HS, MC, density functional] 1363 91 Tanaka: A solution to the inverse kinematics problem of a redundant manipulator using neural networks In: Kohonen et al. (eds.): Artificial Neural Networks [NN, robotics, ] 1364 84 Tanaka: Computer experimtnts on aqueous solution. VI. Potential energy function for tert-butyl alcohol dimer and molecular dynamics calculation of 3mol aqueous solution of tert-butyl alcohol [MD, constant temperature, hydrophobic hydration] 1365 91 Tankeshwar: Self diffusion in isotopic fluid [vacf, VACF, Mori, sum rules, memory, SD, PD, solvent] 1366 85 Tarazona: Free energy density functional for hard spheres [DFT, HS] 120 * Taylor,J.G., and Mannion,C.L.T.: - New developments in neural computing ZB 33349 [NN, spin glasses, robots] 1367 89a Taylor: New developments in neural computing (Contents); ZB 33349 [NN, review] 1600 89 Taylor: Theory of ordered phases in a system of parallel hard spherocylinders. [LC, MC, Hentschke, scaled particle] 1773 98 Teixeira Phase diagrams of aligned dipolar hard rods. [Onsager, Parsons-Lee, second virial, Varga, Gabor] 121 92 Teixeira-Dias (ed.): - Molecular Liquids: New Perspectives ZB 29408/C,379 [X: Posch, Balucani, Toxvaerd] 1371 93 Teixeira: A model calculation of the surface elastic constants of a nematic liquid crystal [K13] 1728 01 Teixeira: Density functional theory of a Gay-Berne film between aligning walls. [Cleaver,LC,GB,dft] 1368 94 Terzis: Electrostatic interactions in liquid crystals: ordering of rigid solutes in nematic solvents [] 1370 .. Teukolski: Chebysheff approximation [in: Numerical recipes, Tschebyscheff] 1721 02 Theenhaus: Dynamical precursor of nematic order in a dense fluid of hard ellipsoids of revolution. [nearly hard ellipsoids,Allen,Latz,domains,LC] 1372 75 Thirring: Berechenbare Eigenschaften der Materie [Thomas-Fermi, Stabilitt] 1373 76 Thirring: Stability of Matter [Thomas-Fermi] 1374 77 Thirring: Erfolge und Misserfolge der mathematischen Physik [FR, integrable Systeme, KAM, schwarze Loecher, black holes gravitational collapse, stability of matter] 1375 77b Thirring: Stabilitaet der Materie [Thomas-Fermi-Theorie] 1376 83 Thirumalai: On the calculation of time correlation functions in quantum systems: path integral techniques [QM, PIMC, TCF] 1377 84 Thirumalai: Time correlation functions in quantum systems [QM, PIMC, TCF] 1378 85 Thirumalai: Evaluation of microcanonical rate constants for bimolecular reactions by path integral techniques [QM, PIMC] 122 * Thompson, W.J.: - Computing for scientists and engineers ZB 36940 [*] 1379 92 Thull, Roger: - Elektrolyte, in: Bergmann-Schaefer, Lehrbuch der Experimentalphysik, Vol. 5, Vielteilchen-Systeme, S. 227-291 ed. W. Raith (W. de Gruyter, Berlin, 1992) [Ãœbersicht] 1380 80 Tildesley: The mean squared force and mean squared torque in molecular liquids [AP, N2, Cl2, Steele] 1381 84 Tildesley: Towards a more complete simulation of small polyatomic molecules [METH, AP, review] 1382 87 Tildesley: Molecular dynamics simulation of condensed phases. In: Kenway, Pawley (eds.): Computational Physics. [METH] 1383 ** Titulaer: On the extraction of macroscopic descriptions from mesoscopic ones [KH] 1384 85 Titulaer: Theoretische Physik IV: Thermodynamik und Statistik [Vorlesungsmanuskript, SO] 1385 88 Tobias: MD with internal coordinate constraints [CD, AP, Brooks, arbitrary constraints, dihedral angle, normal mode, perturbation] 1386 90 Tobochnik: Efficient random walk algorithm for computing conductivity in continuum percolation systems [first passage, SD, DLA, diffusion limited] 1387 03 Tobochnik: Writing articles on using computers in physics education [editorial, EPAPS, Zit. Wilding] 1638 ** Tobochnik: Introduction to Java. [] 1388 94 Toffoli: Occam, Turing, von Neumann, Jaynes: How much can you get for how little? / A conceptual introduction to cellular automata [complexity, CA, Navier-Stokes] 123 * Tokuyama, Oppenheim: - Statistical Physics Experiments, Theories and Computer Simulations 1389 95 Tomassini: A survey of genetic algorithms 1749 03 Tort: Elliptical Fourier functions as a morphological descriptor of the genus stenosarina (brachiopoda, terebratulida, New Caledonia). [EFA, event driven, hard body dynamics, EDMD] 1390 91 Tosi: Screening in dense ionic fluids [molten salts, ML] 1391 91 Townsend: Molecular dynamics studies of the liquid-vapor interface of water [Phase separation] 1392 89 Toxvaerd: MD calculation of the equation of state of liquid propane [AP] 1393 90 Toxvaerd: MD calculation of the equation of state of alkanes [AP, CD] 1394 91 Toxvaerd: Algorithms for canonical MD simulations [METH, NEMD, NOSE, leapfrog] 1395 92 Toxvaerd: MD simulation of non-simple liquids [MD, symplectic algorithm, METH, AP] 1396 89 Trullas: Langevin dynamics simulation of ions in solution: Influence of the solvent structure [SD, Padro] 1397 92 Trullas: Dynamic cross correlations in molten salts and soft-sphere binary mixtures: a molecular dynamics study (Padro) [pair dynamics, PD, MD] 1398 91 Tsangaris: A modified Gibbs ensemble method for calculating fluid phase equilibria [MC, GEMC] 1399 69 Tscharnuter: Markoffsche Prozesse und Stellardynamik I [Markov, SD, SO] 1752 06 Tscheliessnig: The role of fluid wall association on adsorption of chain molecules at functional surfaces: A density functional approach. [Fischer,Sokolowski,DFT,anchoring] 1400 92 Tsekov: Velocity autocorrelation function in fluctuating hydrodynamics: frequency dependence of the kinematic viscosity [Mori, memory, SD] 1401 70 Tully-Smith: Further development of scaled particle theory of rigid sphere fluids [Reiss, GL] 1402 ****** U ****** 1403 95 Ueda: Wavelets: An Elementary Introduction and Examples 1404 30 Uhlenbeck: On the theory of the Brownian motion [Smoluchowski, Ornstein, harmonic oscillator] 1405 88 Umrigar: A method for determining many body wavefunctions [QM] 1406 ****** V ****** 1407 99a Vacatello: Monte Carlo simulations of systems of rodlike molecules with semiflexible terminal groups [MC, Di Landa] 1615 99 Vacatello: Monte Carlo simulations of rodlike molecules with semiflexible terminal groups. [Di Landa, LC, MC, nematic] 1408 90 Valls: Numerical study of a simple Langevin model for the kinetics of dense fluids (G.F.Mazenko) [KH] 1632 96 Van Beijeren Lyapunov exponents from kinetic theory for a dilute, field-driven Lorentz gas. [Dorfman, Posch, Dellago] 1409 98 Van Gelderen: The shift operators and translations of spherical harmonics. [for Mayer fct] 1410 77 Van Gunsteren: Algorithms for macromolecular dynamics and constraint dynamics. [CD] 1411 81 Van Gunsteren: Stochastic dynamics for molecules with constraints: Brownian dynamics of n-alkanes. [SD, CD, polymers, AP] 1412 82 Van Gunsteren: Algorithms for Brownian dynamics. [SD, CD, SHAKE] 1586 91 van Leeuwen Investigation of the transition to liquid-liquid immiscibility for Lennard-Jones systems, using Gibbs ensemble molecular simulations [GEMC, mixtures, demixing, phase transitions] 1748 07 Van Meel: Harvesting graphics power for MD simulations [Frenkel] 1720 00 Van Roij: Interfaces, wetting, and capillary nematization of a hard-rod fluid: Theory for the Zwanzig model. [Evans, DFT, density functional, Dijkstra] 1414 88 Van Vliet: On Van Kampen's objections against linear response theory [LR, KH, Kubo] 1743 06 Van Zon: Numerical implementation of the exact dynamics of free rigid bodies. [Schofield, DMD, hard] 1582 01 Vanakaras The smectic phase of spherical fan-shaped molecules. A computer simulation study. [LC, NPT, MC, smectic, Photinos] 1413 96 Vannucci: Nonparametric density estimation using wavelets [Daubechie, Georgi] 1607 ** Vannucci: Nonparametric density estimation using wavelets. [] 1753 07 Varga: Smectic ordering in athermal systems of rodlike triblock copolymers. [LC,Koda,Fraden,second virial] 1764 05 Varga: Nematic-nematic phase separation in binary mixtures of thick and thin rods: Results from Onsager-like theories. [LC, Fraden, hard cylinders, Koda] 1653 98 Vasicek: A series expansion for the bivariate normal integral. [bivariate normal, Lennard-Jones Lines, LJL] 1417 94 Vega: A fast algorithm to evaluate the shortest distance between rods [Kihara, liquid crystals, LC] 1418 94a Vega: A new algorithm for molecular dynamics simulations in the grand canonical ensemble [METH, Rull, MD] 1419 91 Vega: Structural study of the angle-averaged soft Kihara potential for linear molecular models. A test of perturbation theory [WCA, RHNC, MC] 1420 92 Vega: Liquid-Vapor Equilibria of Linear Kihara Molecules [De Miguel, perturbation theory, GEMC] 1703 01 Vega: Liquid crystal phase formation for the linear tangent hard sphere model from Monte Carlo simulations [FHS, fused, LC, MC] 1762 89 Vega: Monte Carlo study of rod-like molecules. A test of perturbation theory for the Kihara model. [LC, MC, Boublik, Frenkel] 1767 90 Vega: Perturbation theory of angular molecules interacting through the Kihara potential. [LC] 1768 92 Vega: Thermodynamic properties of mixtures of Kihara molecular fluids from perturbation theory. [LC] 1421 00 Velasco: Density functional theory of inhomogeneous systems of hard spherocylinders [Mederos, Sullivan, DFT, Somoza, LC, smectic] 1613 98 Velasco: A theory for the liquid-crystalline phase behavior of the Gay-Berne model. [GB, LC, DFT, nematic, Gaussian overlap, perturbation] 1701 02 Velasco: Density-functional theory of the nematic-isotropic interface of hard spherocylinders. [DFT, tilt angle, Mederos] 1422 00 Verdaguer: Computer simulation study of the velocity cross correlations between neighboring atoms in simple liquid binary mixtures [Padro, pair dynamics,tagged particle] 1423 90 Vericat: Many-Body functions of nonprimitive electrolytes in one dimension [Blum, Baxter] 1424 68 Verlet: Computer "Experiments" on classical fluids. II. Equilibrium correlation functions [PKF, MD, LJ, AP, extension, HS model] 1425 72 Verlet: Perturbation theory for the thermodynamic properties of simple liquids [Weis, EQ] 124 * Vertogen, G., de Jeu, W.H.: - Thermotropic liquid crystals, fundamentals ZB --- [nematics, order parameter],[X-Auszuege!] 1426 88 Vertogen: Thermotropic liquid crystals, fundamentals (Auszuege) [order parameter, nematics, mesomorphic behaviour] 1428 90 Vesely: Recollision dynamics in the hard sphere fluid (F.J.V., G.T.Evans) [PD, KH] 1770 82 Vesely: Stochastic dynamics of an Onsager cavity dipole. [fluctuation dissipation, dielectric friction] 1429 91 Viecelli: Functional representation of power-law random fields and time series [FR, SD] 1430 72 Vieillard-Baron: Phase transitions of the classical hard-ellipse system [MC, METH, nematics, liquid crystals] 1431 74 Vieillard-Baron: The equation of state of a system of hard spherocylinders [MC, METH, nematics, liquid crystals, scaled particle theory, SPT, free volume theory] 1432 88/1 Visscher: Vibrational relaxation rates via equilibrium simulation of fluids: Thermal softening [KH, AP, Holian, reactions] [*] 1433 88/2 Visscher: Green-Kubo formula for collisional relaxation [KH, reactions, vibrational relaxation] 1434 89 Vitek: Atomistic simulation of materials - Beyond pair potentials (Contents); ZB 32552 [ME, METH, review, Car, clusters, surfaces, epitax] 99 Vliegenthart Phase transitions, aggregation and crystallization in mixed suspensions of colloidal spheres and rods [Lekkerkerker, polymers] 1435 75 Vogel: A Molecular Dynamics Study of Aqueous Solutions II. Cesium Chloride in H2O. [water, solution, CsCl, Heinzinger] 1436 89 Vogelsang: Rice-Allnatt theory: Comparison of calculated shear viscosity and thermal conductivity coefficients with MD results [KH, Hoheisel] 1437 86 Vogelsang: Thermal conductivity of thr Lennard-Jones liquid by molecular dynamics calculations [KH, METH, Kubo, Hoheisel] 1438 96 Voith: Path-integral centroid methods in quantum statistical mechanics and dynamics [QMC, QMD] 1439 68 Volterra: Theory of Light Scattering From Shear Waves in Liquids [CILS] 1440 70 Volterra: Two Mechanisms for Depolarized Light Scattering from Gaseous Argon [CILS] 1441 77 Von Bergen: Unified treatment of intermolecular and thermodynamic potentials of polar fluids. I. Preaveraged intermolecular potential [DP, GL] 1442 70 Von Foerster: Thoughts and Notes on Cognition. [SO] 1443 72 Von Foerster: Responsibilities of Competence. [SO] 1444 74 Von Foerster: Biokybernetik [SO, systems] 1445 74a Von Foerster: Perception of the future and the future of perception. [SO, cognition] 1446 75 Von Foerster: Observing systems / Notes on an epistemology of living things [SO] 1447 83 Von Foerster: Publications [SO] 1448 84 Von Foerster: Objects: Tokens for (Eigen-)Behaviors [SO] 1449 94 Von Foerster: Disorder-Order: Discovery or Invention? [SO, Maxwell's demon, Turing] 1450 84a Voorhees: Solution to the multiparticle diffusion problem with applications to Ostwald ripening - I. Theory [embedding technique, Ewald sums, sintering, coarsening, LS-theory] 1451 84b Voorhees: Solution to the multiparticle diffusion problem with applications to Ostwald ripening - II. Computer simulations [embedding technique, Ewald sums, sintering, coarsening, LS-theory] 1452 85 Voorhees: The theory of Ostwald ripening [coarsening, LS-theory, sintering] 1453 77 Vorontsov-Veljaminov: Berechnung der weitreichenden Wechselwirkungen in einem System geladener Teilchen, fuer MC-Rechnung, mit Hilfe der Multipolentwicklung. [METH, DP] 1454 89 Vortler: Computer simulation studies of hard body fluid mixtures [nonlinear triatomics, dumbbells, NPT, MC] 1455 93 Vrabec: Recent vapour presuure equations for the Lennard-Jones fluid based on molecular simulations [Lotfi, Fischer] 1456 96 Vrabec: Vapor-liquid equilibria of binary mixtures containing methane, ethane, and carbon dioxide from molecular simulation [NpT MC, phase equilibrium] 1457 ****** W ****** 1458 94 Wagersreiter: Numerical study of Frenkel excitons in random chain conformations [Kauffmann, SD] 1459 61 Wagner: Theorie der Alterung von Niederschlgen durch Umlsen (Ostwald-Reifung) [sintering, LS-theory, coarsening] 1771 98 Wagner: A study of the perfectly oriented Gay-Berne model of nematic liquid crystal via perturbation theory and molecular dynamics. [LC, LJL, WCA, hard ellipsoids] 125 * Wagon, : - Mathematica in action ZB 35600 1461 71 Wainwright: Decay of Time Correlations in Two Dimensions [KH] 1719 97 Wall: Computer simulation studies of confined liquid crystal films. [Cleaver,MD,GB] 1460 87 Wallace: Neural network models: a physicist's primer. In: Kenway, Pawley (eds.): Computational Physics. [SO, neural networks, NN] 1463 86 Wallqvist: Localization of an excess electron in water clusters [QM, PIMC, Thirumalai, Berne] 1464 71 Walrafen: Stimulated Raman Scattering and the Mixture Model of water structure [ML] 1465 72 Wang: Pair Potential in Liquids from the Exact Born-Green Equation. I. Model Testing [MC, PY, BG, HNC, LJ, AP] 1466 73 Wang: Monte Carlo study of the pair correlation function for a liquid with non-central forces [MC, DP, Gray, Gubbins, Egelstaff] 1467 74 Wang: Monte Carlo Study of the Angular Pair Correlation function in a Liquid with Quadrupolar forces [MC, DP, Gray, Gubbins, Egelstaff] 1468 75 Wang: On the Theory of the Brownian Motion II [SD, BD] 1469 92 Wang: On the use of reducible polynomials as random number generators [Compagner, stochastics, METH] 1470 96 Wang: Tight-binding molecular dynamics studies of covalent systems [QM] 1471 92 Warhanek: Report 1992 (Nichtmetallische Festkoerper) 1472 94 Warren: Depletion effect in a model lyotropic liquid crystal-theory [AO model, IN transition, no layering, partial segregation] 1473 .. Washington: Auszug aus "An Introduction to 3-dimensional Climate Modeling [METH, PDGL, finite differencing, Ocean models, spectral transform technique] 1637 97 Watson: Effects of topography on formation of defects in SmC* devices explained using an alternative chevron description. [smectic, LC] 1474 90 Watwe: Metric and topological characterization of the advanced stages of loose stack sintering [Sintern, sinter, DeHoff] 1667 02 Webster: Molecular simulation of chevrons in confined smectic liquid crystals. [Cleaver, MD, GB, Gay-Berne, nematic films, GBMESO] 1475 71 Weeks: Role of repulsive forces in determining the equilibrium structure of simple liquids (Weeks, Chandler, Andersen) [WCA, GL, perturbation theory] 1698 70 Weeks: On the equilibrium structure and thermodynamics of simple liquids. (See Weeks 71) [WCA, classic manuscript, Chandler, Andersen] 1476 89 Wehrl: Kurze Bemerkungen zum Dritten Hauptsatz der Thermodynamik [GL, frustrierte Systeme] 1477 91 Weider: Order in fluids: Shear-induced anisotropy in dense fluids of spherical particles and in gases of rotating molecules [Loose, Hess, NEMD] 1478 98 Weihs: Zufallsgenerator-QRNG [quantum random number generator, Zeilinger, Jennewein] 1500 *74 Weinheim: Molwaermen binaerer Systeme aus Cylohexan, Kohlenstoffetrachlorid, Siliziumtetrachlorid und Zinntetrachlorid (Wood??) 126 * Weissert, Th. P. (1997): - The genesis of simulation in dynamics. Pursuing the Fermi-Pasta-Ulam problem [Hamiltonian dynamics, Toda, Kolmogorov, Henon, KAM] 127 * Wendt: - Computational Fluid dynamics / An Introduction ZB 35730 [hydrodynamics, hervorragend] 1479 01 Wensink: Isotropic-nematic phase separation in asymmetrical rod-plate mixtures [CS, Carnahan, Parson, Onsager] 1605 01a Wensink: Isotropic-nematic phase separation in asymmetrical rod-plate mixtures. [mixtures, colloids, LC, nematic, CS, Parson] 1480 91 Wentzcovitch: First principles MD of Li: Test of a new algorithm [QM, MD, Kohn-Sham, density functional, Car-Parrinello] 1481 85 Wepner: Osterdatum, aus: Math. Hilfsbuch fr Studierende und Freunde der Astronomie [SO, Computation] 1571 94 Wertheim Fluids of hard convex molecules. I. Basic theory. [virial coefficients, fundamental measure, DFT, Rosenfeld] 1572 96 Wertheim Fluids of hard convex molecules. II. Two-point measures. [virial coefficients, fundamental measure, DFT, Rosenfeld] 1482 *71 Wertheim: Exact Solution of the Mean Spherical Model for Fluids of Hard Spheres with Permanent Electric Dipole Moments 1483 *73 Wertheim: Dielectric constant of non-polar fluids 1484 *77 Wertheim: Theory of polar fluids. II 1485 90 Wertheim: Statistical mechanics of confined systems: The solvent-induced force between smooth parallel plates [GL, MC, Blum, Bratko] 1652 04 West: Better approximations to cumulative normal functions. [bivariate normal, Lennard-Jones Lines, LJL] 128 * Whiteside, D. T., ed.: - The Mathematical Papers of Issac Newton CUP 1971 ZB 14383 [Bd. IV: Interpolation, Finite Differenzen] 129 * Whitney, Ch. A.: - Random Processes in Physical Systems [Grundlagen; random walk; Feller's reflection theorem; absorbing barrier; first passage, ballot theorem, Ch. 6 --> Xerox], [*, gute Erkl�ungen, z.B. fr einfache kinetische Theorie, statistische Mechanik, etc.] 1486 .. Whitney: Random processes in physical systems (Auszug, ZB 33742) [random walks near boundaries, reflection theorem, ballot theorem, first passage, SD] 1487 *69 Widom: New Model for the Study of Liquid-Vapor Phase Transitions 1488 *72 Widom: Critical-point thermodynamics of fluids without hole-particle symmetry 1489 *73 Widom: Critical points in less than two dimensions 1601 94 Williamson: Monte Carlo annealing technique for the minimization of the Onsager free energy functional. [second virial, mixtures, MC] 1686 97 Williamson: The isotropic-nematic phase transition in a fluid of dipolar hard spherocylinders. [LC, Reznikov] 1493 *75 Wilson: A self-consistent pai function study of the equilibrium bond an gle of the water molecule 1494 *77 Wilson: Philosophiae Naturalis Principia Mathematica 1495 * Wilson: Dielectric Relaxation in Critical Polar Mixtures; Derivation of : Glarum-Cole Equation By Projection Operator Method 1496 93 Wilson: Computer simulation study of liquid crystal formation in a semi-flexible system of linked hard spheres (Allen) [HS, METH, AP] 1490 87 Wineland: Laser cooling 1491 01 Winkelmann: The liquid-vapour interface of pure fluids and mixtures: application of computer simulation and density functional theory [DFT] 1492 *87 Winkler: In "The Encyclopedia of Physical Science and Technology" 1497 92 Wisdom: Long term evolution of the solar system [digital orrery, symplectic, METH] 1642 00 Withers: A computer simulation study of tilted smectic mesophases. [Cleaver, LC, GB, zig-zag, biaxial] 1498 81 Witten: Diffusion-limited aggregation, a Kinetic Critical Phenomenon [Witten-Sander, DCA, diffusion limited, FR] 1499 *87 Witten: Random Kinetic Aggregation 1501 86 Witten: Tenuous structures from disorderly growth processes [FR, colloidal aggregation, DCA, diffusion controlled] 1502 *82 Wojcik: The thermodynamics of symmetric two centre Lennard-Jones liquids 130 * Wolf, D. E.: - Kinetic Roughening, in: IFF-Bulletin 39/1991 ZB 32117/39 [DLA, diffusion limited aggregation, self-organized criticality, sandpile] 1506 85 Wolf: Serious FORTRAN for the PC [PC-FORTRAN, SO] 1507 *85 Wolf: Serious Fortan for the PC (PC-FORTAN) 1508 *85 Wolfram: Software fuer Mathematik und Naturwissenschaften 1509 *86 Wolfram: Cellular Automaton Fluids 1: Basic Theory: 1510 86 Wolfram: Cellular automaton fluids: Basic theory [CA, KH, Navier-Stokes, lattice gas] 1765 05 Wolfsheimer: Monte Carlo Simulationen zu Eigenschaften der isotrop-nematischen Grenzfläche in anisotropen Kolloiden. [LC, Diplomarbeit] 1512 *77 Wolynes: Molecular theory of solvated ion dynamics 1513 *82 Wong: Monte Carlo simulation of liquid neopentane: 1504 *69 Wood: Npt-Ensemble Monte Carlo Calculations for the Hard-Disk Fluid 1505 *85 Woodcock: Lecture Notes in Physics Molecular Dynamics and Relaxationi Phenomena in Glasses 1514 *72 Workman: Integral equation approach to liquid crystals 1515 ****** Y ****** 1517 *82 Yao: Monte Carlo simulation of the grand canonical ensemble 1518 *87 Yi: Melting of 2D Monatomic Solids: Lennard-Jones System 131 * Yonezawa (ed.): - Molecular dynamics simulations. Springer, 1992. ZB 31186/103 [Frenkel, Nose, overview, Parrinello] 1527 90 Yoshida H.: Construction of higher order symplectic integrators [METH] 1520 *75 Yoshida: High-Frequeney Expansion of Memory Function in Classical Simple Liquids. II 1521 85 Yoshida: Calculation of the self-diffusion coefficient of interacting Brownian particles based on the time-independent Smoluchowski equation [SD, PD, BD, hydrodynamic interaction, Oseen, Smoluchowski] 1522 *88 Yoshida: The first-order concentration dependence of the mutual diffusion coefficient of Brownian particles [PD, SD] 1523 *89 Yoshida: Variational Monte Carlo method in the connected moments expansion: H, H-, Be, and Li 2: 1524 89a Yoshida: The first-order concentration dependence of the mutual diffusion coefficient of Brownian particles [PD, Fokker-Planck, Smoluchowski] 1525 89b Yoshida: Variational MC method in the connected moments expansion: H, H-, Be, and Li2 1526 90 Yoshida: QMC calculations with model potentials: Quadratic accuracy [GFMC, Green's function, Ca, Brm] 1528 93 Yoshida: Recent progress in the theory and application of symplectic integrators [METH] 132 * Young, Gregory: - A Survey of Numerical Mathematics I+II Dover, N.Y.1988 1529 *73 Young: Studies in molecular dynamics. XIII. Singlet and pair distribution functions for hard-disk and hard-sphere solids* 1530 *80 Young: Studies in molecular dynamics. XVIII. The square-well phase diagram 1531 91 Young: A locally refined rectangular grid finite element method: Application to computational fluid dynamics and computational physics [METH] 1532 89 Yurtsever: A new equilibration algorithm for MC simulations [maximum allowed displacement, success rate] 1533 00 Yuste: Demixing in binary mixtures of hard hyperspheres [phase behavior, binodal] 1534 ****** Z ****** 1535 85 Zakin: Relation of vibrational frequency shifts to molecular compression in lquid benzene [solute-solvent interaction] 1536 *71 Zamir: Rayleigh- Wing Scattering by Aromatic Liquids 1537 *71 Zeleznik: Rotational relaxation in Polar Gases. III. Molecule Dynamics 1538 *71 Zemanek: Summati 1539 ** Zemanek: Elektronische Rechenanlagen Stonehenge - ein Steinzeit-Computer 1540 *78 Zemanek: Elektronische Rechenanlagen ueber den Kalender, Teil 1 1541 94 Zetterstroem: Structural studies of liquid 2-bromopropane and 2-chloropropane by neutron diffraction [orientation, pair correlationi, Blaschko] 1542 91 Zhang: Generalized Brownian dynamics. III. Vibrational relaxation of heteronuclear diatomics in rare gases [Stochastic dynamics, SD, GLE, BD] 1543 91 Zhao: Molecular modeling of solvation. Cl-(D2o). [QM] 1544 *89 Zheng: Computer simulation of diffusion-controlled reactions in dispersions of spherical sinks [SD, first passage, METH] 1665 03 Zhou: Orientational orders in binary mixtures of hard HGO molecules. [NPT-MC, overlap] 1545 88 Zhu: MD simulation of liquid carbon disulphide with a harmonic intramolecular potential [AP], [Linz 91] 1546 *88 Zhu: Molecular dynamics simulation of liquid carbon disulphide with a harmonic intramolecular potential 1548 *89 Zhu: Polar molecule in a nonpolar liquid. A molecular dynamics study 1550 89 Zhu: Theoretical study of memory kernel and velocity correlation function for condensed phase isomerization. II. Velocity correlation function, barrier crossing rates, and generalized Smoluchowski equation [time dependent friction, rate processes, KGH, Kramers, Grote, Hynes, GLE, SD] 1551 90 Zhu: Nonequilibrium computer simulation of a salt solution [NEMD, Polar, Solvent, Solvation, Langevin] 1552 95 Zidansek: Deuteron NMR study of liquid crystals confined in aerogel matrices [Blinc, 5CB, 8CB, Nematics] 1553 92 Zifferer: MC simulation of tetrahedral chains. 5. The pivot algorithm for non-athermal linear and star-branched polymers [METH, lattice] 1554 92a Zifferer: RANMAR-Test (Maschinenunabhaengigkeit des Marsaglia-Fibonacci- Generators) [METH, shift register, random numbers] 1555 * Zinterhof: Abstract - Zusammenfassung 1558 *87 Zinterhof: Gratis Lattice Points for Multidimensional Integration 1559 *77 Zippelius: Kinetic theory for the coherent scattering function S (q,w) of classical liquids 133 * Zomaya, Albert Y.: - Modeling and simulation of robot manipulators / A parallel processing approach World Scientific, Singapore 1993 ZB 41944/8 [constraint dynamics, robotics] 1560 91 Zoppi: PIMC simulations of solid parahydrogen [QM, Neumann] 1561 * Zwanzig: 1 Introduction: 1562 *65 Zwanzig: High-Frequency Elastic Moduli of Simple Fluids 1563 *69 Zwanzig: Statistical Error Due to Finite Time Averaging in Computer Experiments 1564 73 Zwanzig: Nonlinear generalized Langevin equations [BD, Brownian motion, GLE, nonlinear] 1782 97 Hahn Smooth particle applied mechanics implemented in the clustered machines with PVM [SPH, SPAM, Rayleigh-Benard] 1783 94 Takeda Numerical simulation of viscous flow by smoothed particle hydrodynamics [SPH, Hagen-Poiseuille] 1784 98 Cleary Modelling confined multi-material heat and mass flows using SPH [smoothed particle hydrodynamics, conduction, boundary]