Centrale Lyon training courses

Numerical Methods III: Electronic structure & Molecular Dynamics

Goals

This course is an introduction to the simulation of matter at the atomic and molecular scales. The aim is to cover the basic principles of the method and to enable students to understand how to carry out a simulation and analyse the results. Practical work on the computer is included to put theoretical concepts into practice.

Programme

  • Statistical Physics
  • Introduction to High Performance Computing
  • Newton's Equations / Force Field
  • Verlet Algorithm
  • Applications

Sustainable development

Level 1: Activity contextualised through environmentally sustainable development and social responsibility and/or supported by examples, exercises, applications.

DD&RS level 1

Activity contextualised through environmentally sustainable development and social responsibility and/or supported by examples, exercises, applications.

Course
12h
 
PW
12h
 

Code

25_M_SGM_BIOSURF_S3_8

Responsibles

  • Manuel COBIAN
  • Stéphane VALETTE

Language

English

Keywords

Force Field, Interatomic Potential, Periodic Boundary Conditions, Verlet Algorithm, Statistical Physics, Computer Simulation
Offre de formation