Murau, Austria, 11-16 September 1998
15:30-19:00 | Bus transfer from Vienna (Schwechat Airport) to Murau |
19:00-20:00 | Check-in |
20:00-21:00 | Dinner (Hotel Lercher, Hotel Brauhaus) |
21:30 | Get together (Hotel Lercher) |
9:00- 9:15 | Opening remarks | |
9:15-10:05 | M. Sprik | Ab initio molecular dynamics simulation of molecular liquids |
10:05-10:30 | G. Kresse | Molecular dynamics on the Born-Oppenheimer surface |
10:30-10:55 | V. S. Filinov | Quantum dynamics and the Wigner formulation of quantum dynamics |
10:55-11:20 | Coffee | |
11:20-11:45 | M. Neumann | Single-particle density matrix of supercritical fluid and solid helium |
11:45-12:35 | R. Righini | Ultrafast dynamics and relaxation in molecular liquids |
12:35-14:30 | Lunch (Hotel Lercher, Hotel Brauhaus) |
14:30-15:20 | S. Bratos | Real-time studies of the OH...O motions in water |
15:20-15:45 | P. M. Rodger | The lifetime of a hydrogen bond in aqueous carbohydrate solutions |
15:45-16:10 | R. Ludwig | Cooperative hydrogen bonding in clusters and liquids |
16:10-16:35 | E. Hawlicka | MD simulation of electrolyte solutions - dynamical properties |
16:35-17:05 | Coffee | |
17:05-17:30 | P. Turq | Thermodynamics of concentrated solutions: an MSA approach |
17:30-17:55 | M. Alves Marques | Ionic and molecular correlations in concentrated electrolyte solutions |
17:55-18:45 | D. Chandler | Hydrophobicity at small and large length scales: two faces of water |
19:30-??:?? | Reception by the Mayor of Murau, Conference Dinner (Hotel Lercher) |
9:00- 9:25 | N. Agmon | Primary steps in proton transfer to solvent |
9:25- 9:50 | K. Mizuno | Hydrophobic hydration of acetone and tert-butanol probed by NMR and IR; evidence for the interaction C-H...OH2 |
9:50-10:40 | K. Binder | Monte Carlo and molecular dynamics simulation of the glass transition of polymers |
10:40-11:10 | Coffee | |
11:10-11:35 | Ch. Dellago | Simulating rare events in complex systems by transition path sampling |
11:35-12:00 | I. Szalai | New methods for the simulation of chemical equilibria in the grand- and semigrand-canonical ensembles |
12:00-12:25 | A. Baranyai | Microscopic models of phase coexistence in nonequilibrium steady-state systems |
12:25-12:50 | C. Millot | Modelling of liquids with potentials including distributed polarizabilities: simulation and integral equation results |
12:50-14:30 | Lunch (Hotel Lercher, Hotel Brauhaus) |
14:30-15:20 | J. B. Robert | Unexpected behaviour of T1 relaxation times as a function of T in liquids and supercooled liquids |
15:20-15:45 | J. Kowalewski | Nuclear spin relaxation in paramagnetic systems in solution. New "exact" and approximate model calculations |
15:45-16:10 | E. Hardy | Isotope effect on the translational and rotational motion of liquid ammonia and water |
16:10-16:40 | Coffee | |
16:40-17:30 | W. A. Steele | Simulation studies of the translational and rotational contributions to collective time-correlation functions |
17:30-17:55 | R. Vallauri | Collective properties of liquid HF |
17:55-18:20 | F. Baglin | Application of the Duh-Haymet-Henderson closure of the OZ-equation to the interpretation of interaction-induced Raman light scattering of binary supercritical fluid mixtures |
18:20-18:45 | K. Hermansson | Vibrating molecules in liquids and solids: frequency upshift or downshift? |
19:30-21:30 | Dinner (Hotel Brauhaus) |
21:30-24:00 | Poster session (Hotel Brauhaus) |
9:00- 9:50 | M. P. Allen | Simulations and theories of liquid crystals |
9:50-10:15 | H. Nomura | Temperature and admixture dependence of translation-orientation coupling parameters of isotropic liquid crystals |
10:15-10:40 | D. J. Cleaver | Computer simulation of liquid crystal films |
10:40-11:10 | Coffee | |
11:10-12:00 | R. Blinc | Solitons in liquid crystals |
12:00-14:00 | Lunch (Hotel Lercher, Hotel Brauhaus) |
13:30-19:00 | Excursion to Magdalensberg and Hochosterwitz |
20:00-21:30 | Dinner (Hotel Lercher) |
21:30-23:00 | Meeting of the International Advisory Committee (Hotel Lercher) |
9:00- 9:50 | J. C. Dore | Structural studies of water and cyclohexane in confined geometry using neutron scattering techniques |
9:50-10:15 | V. A. Levchenko | Orientational ordering in wall-adjacent layers of 2,6-lutidine near quartz surfaces modified by carbon |
10:15-10:40 | M. Rovere | Modifications of the hydrogen-bond network of liquid water confined in a cylindrical silica pore |
10:40-11:10 | Coffee | |
11:10-11:35 | J. Oberbrodhage | The formation of micelles at the interface polar/unpolar investigated by electron spectroscopy and MD simulations |
11:35-12:00 | H. Abramczyk | Raman spectroscopic studies of relaxation processes of biphenyl derivatives |
12:00-14:30 | Lunch (Hotel Lercher, Hotel Brauhaus) |
14:30-14:55 | M. G. Giorgini | The noncoincidence effect in highly diluted DMFA/CCl4 binary mixtures |
14:55-15:20 | W. Schröer | Criticality near the liquid-liquid phase transition of ionic solutions |
15:20-15:45 | I. Nezbeda | Simple models of associated fluids: From understanding to applications |
15:45-16:10 | Coffee | |
16:10-16:35 | E. Wilhelm | Thermodynamics of dilute liquid nonelectrolyte solutions: Selected aspects |
16:35-17:00 | J. Fischer | Thermodynamics of alternative refrigerants: Influence of quadrupolar interactions |
17:30-??:?? | Applied Physics and Chemistry: Guided tour of the Brewery, followed by a Styrian Dinner at the Brewery |
20:30-??:?? | Poster prize (Hotel Brauhaus) |
9:00- 9:50 | B. Smit | Simulating the adsorption of hydrocarbon mixtures in zeolites |
9:50-10:40 | F. H. Ree | Influence of chemical reactions on supercritical fluid-fluid phase separations |
10:40-11:00 | Coffee | |
11:00-12:00 | General Meeting of the EMLG |
12:30-??:?? | Bus transfer from Murau to Vienna (Schwechat Airport); lunch bags in bus |
13:00-??:?? | Lunch (Hotel Lercher, Hotel Brauhaus) |