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