Simulationsmethoden II SS2010
Simulationsmethoden in der Physik I:Simulation Methods in Physics I
- Lecture (2 SWS) and Tutorials (1 SWS)
- Prof. Dr. Christian Holm (Lecture) and Joan Josep Cerdà, Nadezhda Gribova (Tutorials)
- Course language
- Time and Room
- Lecture times: Monday, 11:30 a.m.-1 p.m., Room V27.03
- Tutorial times: Wednesday, 3:30 p.m.-5:30 p.m., Room U 108 (Pfaffenwaldring 27)
The lecture is accompanied by hands-on-tutorials which will take place in the CIP-Pool of the ICP, Pfaffenwaldring 27, U 108. They consist of practical exercises at the computer, like small programming tasks, simulations, visualization and data analysis. The tutorials build on each other, therefore continuous attendance is expected.
The course intends to give an overview about modern simulation methods used in physics today. The stress of the lecture will be to introduce different approaches to simulate a problem, hence we will not go too to deep into specific details but rather try to cover a broad range of methods. In more detail, the lecture will consist of:
We expect the participants to have basic knowledge in classical and statistical mechanics, thermodynamics, electrodynamics, and partial differential equations, as well as knowledge of a programming language (preferably C or C++).
The final mark would consists :
- 1. 50% of the marks for the hand-in exercises for both parts of the course (Simulation Methods I and II)
- 2. 50% of the mark at the oral exam in the end of the course.
Tutorials (U 108)
|05.05/12.05||Atomistic simulations using GROMACS package. Water models.|
|19.05/02.06||Introduction to ESPResSo package. Simulation of a polymer.|
|16.06/23.06||Simulation of a charged rod.|
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.
Mike P. Allen, Dominik J. Tildesley.
Computer Simulation of Liquids.
Part of Oxford Science Publications. Edition 1.
Clarendon Press, Oxford, 1987.
D. C. Rapaport.
The Art of Molecular Dynamics Simulation.
Cambridge University Press, 2004. ISBN: 9780511816581.
D. P. Landau, K. Binder.
A guide to Monte Carlo Simulations in Statistical Physics.
Edition second edition.
M. E. J. Newman, G. T. Barkema.
Monte Carlo Methods in Statistical Physics.
Edition 2002 edition.
Oxford University Press, 1999.
H. J. Limbach, A. Arnold, B. A. Mann, C. Holm.
ESPResSo – An Extensible Simulation Package for Research on Soft Matter Systems.
Computer Physics Communications 174(9):704–727, 2006.
[PDF] (318 KB) [DOI]
D.P. Landau and K. Binder.