Lecture 1   (Introduction to simulation)	Lecture 2
Lecture 3   (Ewald and Particle Mesh Ewald)	Lecture 4   (Thermostat and Barostat)
Lecture 5   (MC Lecture)

 

 

Codes for hands-on session:

Builder

MD code

MD code with asci trj and vel file

NVE/PME MD code

ananlysis routines (including diffusion code)

diffusion params

MC code

MC builder code

Visu code

Home Work Assignments :

Home work 1

Home work 2

Home work 4

Reference papers :

Gubbins-1993

Berendsen-1984

Huenenberger-2005

Basconi-2013

Deserno-PhD-thesis