Practical Simulations for Molecules and Materials

Lecture + Practical 1

PowerPoint slides – Molecules & Materials 1

Worksheet for Practical 1 – Discussion points

Educational MD tools:

States of Matter

Lecture + Practical 2

PowerPoint slides – Molecules & Materials 2

The lecture will be delivered by Matteo Degiacomi  Matteo’s group research is on molecular modeling of biomolecular systems:

“We combine molecular dynamics simulations and development of computational methods for the modeling of biomolecular systems at atomistic resolution”

This practical session will be carried out on Linux machines. Some hopefully helpful information to get acquainted:

Worksheet for Practical 2 –  PROTEIN SIMULATIONS

Lecture + Practical 3

PowerPoint slides – Molecules & Materials 3

Worksheet for Practical 3 –  MATERIAL SIMULATIONS

Lecture + Practical 4

This session is dedicated to analysing the simulations and rendering appealing images. There is no course material, only your simulations from Practical 3.




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