Difference between revisions of "Simulationsmethoden I"
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Revision as of 17:01, 27 April 2009
Overview
Simulationsmethoden in der Physik I:Simulation Methods in Physics I
 Type
 Lecture (2 SWS) and Tutorials (2 SWS)
 The course will take place during the first 6 weeks of the semester with 4 hours per week lectures, and 4 hours tutorial
 Lecturer
 Prof. Dr. Christian Holm (Lecture) and Joan Josep Cerdà, Fatemeh Tabatabaei, Nadezhda Gribova (Tutorials)
 Course language
 Deutsch oder Englisch, wie gewünscht German or English, by vote
 Time and Room
 Lecture times: Tue 11.30  13.00 in V57.04 and Wed 9.45  11.15 in V57.02
The lecture is accompanied by handsontutorials which will take place in the CIPPool 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. Tutorials are split in two parts 2 hours each on Wednesdays 14.0015.30 and on Thursdays 17.1518.45.
Scope
The course will give an introduction to modern simulational techniques, like MonteCarlo (MC) and Molecular dynamics (MD) simulations (on and offlattice), and how to solve nonlinear PDEs like the PoissonBoltzmann equation.
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:
 1. Attendance of the exercise classes
 2. Obtaining 50% of the possible marks in the handin exercises
Lecture (still under revision, please keep looking)
Date  Subject 

21.4.  Initial informational meeting  Vorbesprechung 
22.4.  MonteCarlo integration/simulation (Simple vs. Importance sampling)
Look at Zuse's Z3 computer from 1941: Z3 and read something about the first big US computer at Los Alamos Evolving from Calculators to Computers 
28.4.  2D Random walks (RW) and Selfavoiding random walks (SAW)Ising model I (Phase transitions, Critical phenomena, Finite size scaling) 
29.4.  2D Ising model II (Reweighting, Cluster Algorithm) 
5.5.  Error Analysis (Binning, Jackknife, ...)

6.5.  Molecular Dynamics I (Velocity Verlet algorithm, Reduced units, Langevin thermostat, Potentials, Forces, Atomistic force fields) 
12.5.  Molecular Dynamics II

13.5.  
19.5.  
20.5.  
26.5.  
27.5.  last lecture of Simulationsmethoden I

Tutorials (U 108)
Date  Subject 

29.4. and 30.4  Simple and important sampling. Random walks. 
6.5. and 7.5  2D Ising model I 
13.5. and 14.5  2D Ising model II 
20.5. and 21.5  Error analysis 
27.5. and 28.5  Molecular Dynamics (LennardJones system) 
Recommended literature

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: 9780122673511.
[DOI] 
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.
Edition 2.
Cambridge University Press, 2004. ISBN: 9780511816581.
[DOI] 
D. P. Landau, K. Binder.
A guide to Monte Carlo Simulations in Statistical Physics.
Edition second edition.
Cambridge, 2005.

M. E. J. Newman, G. T. Barkema.
Monte Carlo Methods in Statistical Physics.
Edition 2002 edition.
Oxford University Press, 1999.