ELyT Global

Mandatory pre-requisite

Directions for participants :

Participants are required to come with their own computer.

Participants have to follow the directions given below to set up the software ontheir computers:

  • lammps
  • ovito
  • siesta
  • quantum expresso

Partipants are require to prepare the school reading reference books (list below) in order to answer the following questions :

For Molecular Dynamics simulations

  • What is Molecular Dynamics?  
  • What is it used for? What do we model, what do we simulate?
  • What is the principle of MD?
  • What are the limitations of Molecular Dynamics?
  • Which results may we expect from MD simulations?
  • Why statistical physics may be useful?

For Ab Initio simulations