Computational Modeling in Clay Mineralogy – Summer School

AIPEAASYS – AIPEA Summer school, part of the 16th International Clay Conference, held in Granada between 15th and 16th  July 2017.

Lecture notes on Free Energy Sampling Techniques.


Practical Simulations for Molecules and Materials

For the academic year 2017/18 lectures and practicals are held in CG66 from 3pm to 5pm (assistance for practicals available until 6pm) on 7th, 14th, 28th of February and 7th of March.

Lecture + Practical 1

PowerPoint slides – Molecules & Materials 1

Worksheet for Practical 1 – Discussion points

Educational MD tools:

Lecture + Practical 2

PowerPoint slides – Molecules & Materials 2

This practical session will be carried out on Linux machines, this document contains some basics – Linux Basics

Worksheet for Practical 2 –  PROTEIN SIMULATIONS

Lecture + Practical 3

All material will be available on 28th of Feb

Worksheet for Practical 3 –  MATERIAL SIMULATIONS

Lecture + Practical 4

All material will be available on 7th of March


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