Computer simulation techniques
The two predominant computer simulation techniques used in the simulation of phases of condensed matter are:
and
For a list of some of the computer programs available see:
Material common to both techniques
- Coarse graining
- Computation of phase equilibria
- Configuration analysis
- Dissipative particle dynamics
- Electrostatics
- Ergodic hypothesis
- Expanded ensemble method
- Finite size scaling
- Force fields
- Gibbs-Duhem integration
- Iterative Boltzmann inversion
- Models
- Neighbour lists
- Path integrals
- Periodic boundary conditions
- Self-referential method
- Smooth Particle methods
- Statistical-temperature simulation algorithm
- Tempering methods
- Test area method
- Test volume method
- Thermostats
- 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)
- Wilfred F. van Gunsteren, and Alan E. Mark "Validation of molecular dynamics simulation", Journal of Chemical Physics 108 pp. 6109-6116 (1998)