Simulationsmethoden II SS2010

Simulationsmethoden in der Physik I:Simulation Methods in Physics I

Type

Lecture (2 SWS) and Tutorials (1 SWS)

Lecturer

Prof. Dr. Christian Holm (Lecture) and Joan Josep Cerdà, Nadezhda Gribova (Tutorials)

Course language

English

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.

Scope

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:

1.

2.

3.

4.

Prerequisites

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++).

Certificate Requirements:

The final mark would consists :

1. 50% of the marks for the hand-in exercises (attendance of the exercise classes is required)

2. 50% of the mark at the oral exam in the end of the course.

Lecture

Date	Subject
19.04.10
26.04.10
03.05.10
10.05.10
17.05.10
31.05.10
07.06.10
14.06.10
21.06.10
28.06.10
05.07.10
12.07.10
19.07.10

Tutorials (U 108)

Date	Subject
21.04/28.04	Error Analysis.
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.
30.06/07.07	Lattice Bolzmann.
14.07/21.07	Advanced MD.

Recommended literature

• Daan Frenkel and Berend Smit.
  "Understanding Molecular Simulation".
  Academic Press, San Diego, 2002.
  [DOI]
• Mike P. Allen and Dominik J. Tildesley.
  "Computer Simulation of Liquids".
  Oxford Science Publications, Clarendon Press, Oxford, 1987.
  
• D. C. Rapaport.
  "The Art of Molecular Dynamics Simulation".
  Cambridge University Press, 2004.
  
• D. P. Landau and K. Binder.
  "A guide to Monte Carlo Simulations in Statistical Physics".
  Cambridge, 2005.
  
• M. E. J. Newman and G. T. Barkema.
  "Monte Carlo Methods in Statistical Physics".
  Oxford University Press, 1999.
  
• Hans Jörg Limbach and Axel Arnold and B. A. Mann and Christian Holm.
  "ESPResSo – An Extensible Simulation Package for Research on Soft Matter Systems".
  Computer Physics Communications 174(9)(704–727), 2006.
  [PDF] (318 KB) [DOI]

Available E-Books

D.P. Landau and K. Binder.

"A guide to Monte Carlo Simulations in Statistical Physics"