Simulation Techniques for Soft Matter Sciences (SS 2007)
Simulation Techniques for Soft Matter Sciences
Basic information
Overview
PD Dr. Christian Holm Lecture, 2 SWS Course language: english Time and Room: Thu 12:00 - 14:00, Phys 1.114
Prerequisites
The course is intended for participants in the Master Program "Computational Science", but should also be useful for FIGSS students and for other interested students of natural science
Prerequisite knowledge: basic knowledge in classical mechanics, statistical mechanics, thermodynamics, electrodynamics, partial differential equations.
Content
Introduction into Monte Carlo (MC) and Molecular Dynamics (MD) algorithms, suited for soft matter systems. Classical density functional approaches to charged systems, Poisson-Boltzmann functional and beyond, methods for long range interactions, discussion of best methodologies for the study of polymers, colloids, membranes, dipolar fluids, Advanced MD/MC strategies, error analysis. Random walks and diffusion, Scaling theory approaches, self-consistent field theory, Flory-Huggins theory, treatment of hydrodynamics, Lattice-Boltzmann algorithm.
The tutorial will consist of practical excercises on the computer, writing small programs, performing own simulations, etc.
Recommended literature
- Frenkel and Smit, Understanding Molecular simulations
- Allen, Tildesley: Computer Simulation of Liquids