The two main topics covered by this course are classical molecular dynamics and the Monte Carlo method.
The main focus of this course is the conceptual understanding of the potential and limitations of various simulation algorithms in the context of classical molecular dynamics and the Monte Carlo method. The Lennard-Jones liquid is extensively used for both methodologies as a case study for practical application. The codes for running the simulations are license-free and are provided. The emphasis of this course is on extracting physically relevant information from the simulations. Since the codes are provided, programming abilities may be helpful but do not correspond to the targets of this course.
- Professor: Alfredo Pasquarello
- Teacher: Giorgio Palermo
- Teacher: Stefan Riemelmoser
