Computer simulation techniques

The two predominant computer simulation techniques used in the simulation of phases of condensed matter are:

• Molecular dynamics

and

• Monte Carlo

For a list of some of the computer programs available see:

• Materials modelling and computer simulation codes

Material common to both techniques

• Boundary conditions
• Coarse graining
• Computation of phase equilibria
• Configuration analysis
• Dissipative particle dynamics
• Electrostatics
• Ergodic hypothesis
• Expanded ensemble method
• Finite size effects
• Force fields
• Gibbs-Duhem integration
• Iterative Boltzmann inversion
• Models
• Self-referential method
• Smooth Particle methods
• Tempering methods
• Test area method
• Test volume method
• Verlet neighbour list
• Wandering interface method
• Widom test-particle method

Interesting reading

• W. W. Wood "Early history of computer simulations in statistical mechanics" in "Molecular-dynamics simulation of statistical-mechanical systems" (Eds. Giovanni Ciccotti and William G. Hoover) pp. 3-14 Società Italiana di Fisica (1986)
• Daan Frenkel and Jean-Pierre Hansen "Understanding liquids: a computer game?", Physics World 9 pp. 35–42 (April 1996)
• Wm. G. Hoover "50 Years of Computer Simulation -- A Personal View", arXiv:0812.2086v2 (2008)