Simulationsmethoden II
Overview
Simulationsmethoden in der Physik II:Simulation Methods in Physics II
 Type
 Lecture (2 SWS) and Tutorials (2 SWS)
 The course will take place during the last 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++). The attendance of Simulation Methods I or having aquired similar knowledge is assumed.
Certificate Requirements:
 1. Attendance of the exercise classes
 2. Obtaining 50% of the possible marks in the handin exercises
Lecture
Date  Subject 

9.6.  Biomolecular simulations part I 
10.6.  Biomolecular simulations part II

16.6.  water models, Born model for continuum electrostatics, Coarse graining strategies 
17.6.  Langevin Dynamics, Polymer simulations, Long range interactions 
23.6.  Ewald sum

24.6.  particle mesh and other methods for long range interactions 
30.6.  the repton model 
1.7.  Mesoscopic hydrodynamics part I 
7.7.  Mesoscopic hydrodynamics part II

8.7.  treatment of charged soft matter systems I 
14.7.  treatment of charged soft matter systems II 
15.7.  treatment of charged soft matter systems III 
21.7.  
22.7.  last lecture of Simulationsmethoden II

Tutorials (U 108)
Date  Subject 

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.
Available EBooks
D.P. Landau and K. Binder.