Computational Physics: Advanced Monte Carlo Methods (B-KUL-G0U08A)
Aims
1) The student learns the basic principles of Monte Carlo simulations.
2) The student learns how Monte Carlo simulations are used to study interacting many particle systems.
3) The student learns several examples of equilibrium systems, both discrete (Ising, Potts) and continuous (Hard Spheres, Lennard-Jones fluids), investigated by Monte Carlo simulations.
4) The student learns about applications of Monte Carlo methods to describe the dynamics of coupled chemical reactions.
5) The student learns how to write an own computer code performing a Monte Carlo simulation and to intepret the obtained data.
Previous knowledge
Calculus, elementary programming and elementary thermodynamics
Is included in these courses of study
- Master of Biophysics, Biochemistry and Biotechnology (Leuven) (Specialisation: Biophysics) 120 ects.
- Courses for Exchange Students Faculty of Science (Leuven)
- Master of Physics (Leuven) 120 ects.
Activities
3 ects. Computational Physics: Advanced Monte Carlo Methods (B-KUL-G0U08a)
Content
1) Monte Carlo computation of Integrals and Importance sampling
2) Markov Chains and Detailed Balance
3) The Metropolis Algorithm
4) Critical slowing down
5) Cluster algorithms
6) Monte Carlo in continuous time
7) Kawasaki algorithm: local and non-local
8) Coupled chemical reactions: the Gillespie algorithm
Course material
Lecture Notes (E. Carlon) - Available via Toledo
M.E.J. Newman and G.T. Barkema, "Monte Carlo Methods in Statistical Physics" (Oxford University Press)
D. Frenkel and B. Smit, "Understanding molecular simulations", Academic Press (2002)
Format: more information
Lectures, discussion sessions, take-home problems
Evaluation
Evaluation: Computational Physics: Advanced Monte Carlo Methods (B-KUL-G2U08a)
Explanation
The exam consists in the discussion of some assignments which the student gets during the course. The assignements involve the development of own computer programs (in a language chosen by the student as for instance C, C++, Fortran, Matlab, Octave...) in order to perform Monte Carlo simulations on some specific physical models. The student should perform the simulations, analyze the data obtained and collect the results in a written report. The report should be submitted to the instructor a few days before the exam.