Hauptseminar Theorie und Simulation der weichen Materie SS 2013/MD-MC
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Introduction to Molecular Dynamics and Monte-Carlo Simulations of Soft Matter
Contents
- What is soft matter?
- Molecular Dynamics
- Periodic Boundary Conditions
- Cell lists and Verlet lists
- Monte-Carlo
- Differences between MD and MC (time average vs. ensemble average)
- Sample systems
References
This one is an introduction to soft matter:
The following book is the "bible" of Molecular Simulation:
-
Daan Frenkel and Berend Smit.
"Understanding Molecular Simulation".
Academic Press, San Diego, 2002.
[DOI]
This one is another very good book on simulations:
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Mike P. Allen and Dominik J. Tildesley.
"Computer Simulation of Liquids".
Oxford Science Publications, Clarendon Press, Oxford, 1987.
This one is the original paper of the Monte-Carlo method: