Hauptseminar Theorie und Simulation der weichen Materie SS 2013/MD-MC
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Grundlagen der Molekular-Dynamik und Monte-Carlo-Simulation für weiche Materie
Inhalt:
- Was ist weiche Materie?
- Molekulardynamik-Simulationen (MD)
- Monte-Carlo-Simulationen (MC)
- Unterschiede zwischen MD und MC (Zeitmittel und Ensemblemittel, Integration der Bewegungsgleichungen,...)
- Beispielsysteme
Referenzen
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:
-
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: