[logo] [title]

Graduate Module - First Principles Materials Modelling

Lecture Notes

Basic Course

Advanced Course


2021 Video Recordings



Recommended Textbook

The recommended textbook for this module is "Atomistic Computer Simulations: A Practical Guide" by Veronika Brazdova and David Bowler, published by Wiley VCH. Copies are available on Amazon etc. The text is a good all-round introduction to materials modelling and has lots of practical advice on setting up calculations and analysing results, without being tied to any specific code.