UE6 Numerical simulations S9 SM2NLP

Objectives: Numerical simulations of molecular dynamics and the Monte-Carlo method.

Organization: CM: 15 h, TD: 10 h.
Necessary background: general knowledge of physics
Topics of the course: Molecular dynamics, discretization of the equations of motion, boundary conditions, thermalization. Monte-Carlo method, Metropolis algorithm, optimization problems.
Skills to be achieved:
Ability to simulate molecular dynamics using the C-language.
Grading plan:
Session 1: Written exam (ET) : 100%
Session 2: Written exam (ET) : 100%