Hauptseminar Theorie und Simulation der weichen Materie WS 2014/2015/Monte Carlo and Molecular Dynamics simulations of hard sphere systems
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- Date
- Topic
- Monte Carlo and Molecular Dynamics simulations of hard sphere systems
- Speaker
- Michael Geiger
- Tutor
- Jens Smiatek
Contents
- Principles of Monte-Carlo (MC) and Molecular Dynamics (MD) simulations
- Importance sampling
- Ergodic hypothesis
- Methods of integration: Symplectic algorithms
- Comparison between MC/MD: advantages and drawbacks
Literature
-
Daan Frenkel, Berend Smit.
Understanding Molecular Simulation: From Algorithms to Applications.
Part of Computational Science, volume 1. Edition 2.
Academic Press, San Diego, 2002. ISBN: 978-0-12-267351-1.
[DOI] -
Mike P. Allen, Dominik J. Tildesley.
Computer Simulation of Liquids.
Part of Oxford Science Publications. Edition 1.
Clarendon Press, Oxford, 1987.