Statistical Thermodynamics and Computer Simulations

The covered topics include a summeray of basic thermodynamic and statistical mechanics, and the relation between these topics. Monte Carlo and molecular dynamics methods are then introduced to solve the formal equations of statistical mechanics. Applications to hard-shere, Lennard-Jones and simple ionic systems are made. The results from computer simulations are then used to discuss thermodynamic and structural properties of pure and mixed liquids, and are coupled transport properties in liquid mixtures.

The purpuse of the course is to apply statistical mechanics to computer simulations of simple fluids.

The course is normally offered every second year, next time during the Spring term, 2009. Lectures, exercixses and seminars. Portfolio evaluation: Project work. Grading scale: Passed/Not passed (Passed is equal to B or better). English teaching by request.