Theoretical concepts and simulation
Sommersemester 2008
Exam
Tuesday, July 15, 12:15 -- 14:00, room 1003
Results: see studis
Next exam: October 16, 08:15 -- 09:45, room 288, southern physics building
Results: Klausureinsicht, Friday October 24, room 512
to pass the exam seven or more points were necessary. This was achieved by the students with
matriculation numbers
1042263, 1010686, 821555.
Contents
The lecture will cover the following subjects:
- Thermodynamics and Statistical Physics
- First, second and third law of thermodynamics
- Thermodynamic potentials, Maxwell relations
- Classical statistical mechanics
- Molecular Dynamics
- Molecular dynamics at constant energy -- Verlet algorithm
- Simulating Lennard-Jones particles
- Constant pressure -- Andersen scheme
- Constant temperature -- Nose scheme
- Constant bond length -- SHAKE algorithm
- Monte Carlo Simulations
- Random number generators
- Monte Carlo integration
- Importance sampling through Markov chains
- Simulation of classical liquids (Metropolis algorithm)
- Simulation of the Ising model
- Partial Differential Equations
- Initial value problems
(time dependent Schrödinger equation, diffusion equation, stability analysis, Crank-Nicholson algorithm)
- Boundary value problems
- Finite element method
(Galerkin, Ritz, weak form of PDE, triangulation)
Literature
- Tao Pang, An Introduction to Computational Physics (Cambridge University Press)
- J. M. Thijssen, Computational Physics
(Cambridge University Press)
- Koonin, Meredith, Computational Physics (Addison-Weseley)
- D. C. Rapaport, The Art of Molecular Dynamics Simulation, (Cambridge University Press)
- W. H. Press et al, Numerical Recipes (Cambridge University Press)
(online version)
Exercise sheets
- 1, discussion 08.05., 1.pdf
- 2, discussion 20.05., 2.pdf , LJ.c, LJ.in ,
- 3, discussion Thursday 29.05., 3.pdf , LJ2.c, LJ2.in
- 4, discussion Tuesday 17.06., 4.pdf ,
ex10.c, ex11.cpp
- 5, discussion Thursday 26.06., 5.pdf,
ex12.c
- 6, discussion Thursday 09.07., 6.pdf,
ex14.cpp,
ex15.cpp
Links to software related to the course
peter.schwab@physik.uni-augsburg.de, April 2008
