6. Simulation and Statistical Mechanics

Ludwig Boltzmann would have loved simulation!

A short tour takes us to:

• Model Systems of Statistical Mechanics
  
• Tricks of the trade
  
• Monte Carlo simulation
  
• Molecular dynamics simulation

Some History:

- 1952, Metropolis, Rosenbluth, Teller: Monte Carlo on 32 Hard disks

- 1957, Alder: Molecular Dynamics of hard spheres; microscopic vortices!

- 1964, Rahman, Verlet: Lennard Jones fluid

- 1968-70, Hoover, Ree: Melting transition for hard disks and hard spheres, then for soft (LJ) spheres!

- 1970: Harvest time for Liquid State Physics; more complex fluids, too (water, polymers, ...)

- 1987: Holian, Hoover, Posch: Irreversibility explained

- 1990+ : Diversification, Simulation as standard method in StatMech