Computer Simulations in Many-particle Physics 1

Vztahy:

During a review of study plans, the course 12PEMC1 can be substituted for the course 12SFMC1.

Garant předmětu:

Lecturer:

Tutor:

Supervisor:

Department of Laser Physics and Photonics

Synopsis:

Computer simulation types and possibilities, classical continuous and lattice model systems, principles of the Monte Carlo and molecular dynamics methods, the Ising model, model of hard spheres and of Lennard-Jones liquid, realization of simulations and measurement, simulations in various thermodynamic ensembles.

Requirements:

Syllabus of lectures:

to be translated

1. Introduction: Laboratory and computer experiment, Monte Carlo (MC) and Molecular Dynamics (MD) methods. Description of many-body system, inter-molecular forces, correlation functions.

2. Elementary MC: Mathematical formulation of the problem, naive and importance sampling, Metropolis algorithm, lattice systems, simulation in NPT and NVT ensembles, boundary conditions and technical details, optimization and error estimates. Applications: hard-sphere fluid and Lennard-Jones fluid.

3. Elementary MD: Equations of motion, Verlet a Gear integrators, kinetic coefficients. Applications: particles in homogeneous and radial gravitational field, homogenous Lennard-Jones fluid.

4. Advanced methods: Determination of entropic quantities, measurement of chemical potential, thermodynamic integration, non-Boltzmann sampling of configuration space, phase equilibria, Nosé thermostat for MD.

Syllabus of tutorials:

tbd

Study Objective:

Knowledge:

Knowledge of physics of many particles.

Skills:

Ability to use particle simulations.

Study materials:

Key references:

[1] I. Nezbeda, J. Kolafa, M. Kotrla, Úvod do počítačových simulací: Metody Monte Carlo a molekuární dynamiky, Karolinum, Praha, 2003.

[2] D. Landau, K. Binder, A Guide to Monte Carlo Simulations in Statistical Physics, Cambridge University Press, 2002.

[3] D. Frenkel, B. Smit, Understanding molecular simulation, Academic Press, San Diego, USA, 2002.

Recommended references:

[4] M.E.J. Newman, G.T. Barkema, Monte Carlo Methods in Statistical Physics, Oxford University Press, 2002.

Note:

Further information:

No time-table has been prepared for this course

The course is a part of the following study plans:

• Fyzika a technika termojaderné fúze (elective course)
• Fyzika plazmatu a termojaderné fúze (elective course)
• Fyzikální elektronika - Počítačová fyzika (elective course)