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:
- 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