Simulationsmethoden II

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 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 are split in two parts 2 hours each on Wednesdays 14.00-15.30 and on Thursdays 17.15-18.45.

Scope

The course will give an introduction to modern simulational techniques, like Monte-Carlo (MC) and Molecular dynamics (MD) simulations (on- and off-lattice), and how to solve non-linear PDEs like the Poisson-Boltzmann 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 hand-in 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: 978-0-12-267351-1.
  [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 E-Books

D.P. Landau and K. Binder.

"A guide to Monte Carlo Simulations in Statistical Physics"