Simulationsmethoden I WS 09 10

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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: Wed. 11.30 - 13.00 in V57.04 and Wed 9.45 - 11.15 in V57.02

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. Tutorials will be hold on: Time to be announced.

Scope

The course will give an introduction to modern simulational techniques, like Monte-Carlo (MC) and Molecular dynamics (MD) simulations (on- and off-lattice).

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 hand-in exercises

Lecture

Date Subject
  1. |-valign="top"
  2. ! 21.4.
  3. | Initial informational meeting - Vorbesprechung
22.4. Monte-Carlo 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. Random walks and Browninan motion--Ising model, Theoretical foundations of Monte Carlo
29.4. Study of phase transitions, critical phenomena, critical exponents
5.5. Finite size scaling theory


6.5. Reweighting, multi-histogram and tempering methods
12.5. Error Analysis (Binning, Jackknife, ...)


13.5. Random number generators, Cluster Algorithms
19.5. Molecular Dynamics I (Velocity Verlet algorithm, Reduced units, Langevin thermostat, Potentials, Forces, Atomistic force fields)
20.5. Molecular Dynamics II
26.5. Molecular Dynamics III
27.5. MD IV, 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 (Lennard-Jones system)

Recommended literature


Available E-Books

D.P. Landau and K. Binder.

"A guide to Monte Carlo Simulations in Statistical Physics"