Difference between revisions of "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 |
| − | * Monte-Carlo | + | ** 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: | This one is an introduction to soft matter: | ||
Latest revision as of 10:34, 25 March 2013
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:
-
Gerhard Gompper, Jan K. G. Dhont, Dieter Richter.
Komplexe Materialien auf mesoskopischer Skala: Was ist Weiche Materie?
Physik in unserer Zeit 34(1):12–18, 2003.
[PDF] (436 KB) [DOI]
The following book is the "bible" of Molecular Simulation:
-
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]
This one is another very good book on simulations:
-
Mike P. Allen, Dominik J. Tildesley.
Computer Simulation of Liquids.
Part of Oxford Science Publications. Edition 1.
Clarendon Press, Oxford, 1987.
This one is the original paper of the Monte-Carlo method: