The lectures start with a recap of statistical mechanics, and an introduction molecular dynamics and Monte Carlo methods. Subsequently, methods to compute free energies and phase equilibria, and advanced Monte Carlo techniques to simulate complex fluids will be discussed. These techniques will be illustrated by applications in present research. Carrying out simulations is an implicit part of the course.
Evert Jan Meijer
Understanding Molecular Simulation
The lectures start with a recap of statistical mechanics, and an introduction molecular dynamics and Monte Carlo methods. Subsequently, methods to compute free energies and phase equilibria, and advanced Monte Carlo techniques to simulate complex fluids will be discussed.