Edinburgh University, School of Chemistry

In the School of Chemistry at Edinburgh University I currently teach on two modules:

Watch this space for material for the above two courses.


As part of the Scottish Universities Physics Alliance (SUPA), I have been giving an introductory course on molecular mechanics. The lectures slides can be found here:

CCPBioSim Workshops

CCPBioSim is a molecular modelling consortium in the UK that among other things also provides training for PhD students in molecular modelling.


In 2022 I co-designed and taught on a 2-day MGMS sponsored workshop on MDAnalysis and an introduction to Machine Learning that was hosted at the University of Edinburgh directly after the 8th Annual CCPBioSim Conference

Lecture slides are available here:

The practical workshop material can be found on GitHub:


In 2019 I ran an introductory workshop on alchemical free energy calculations using BioSimSpace and Markov Modelling with pyEmmma.

Slides are available here:

The practical workshop material can be found on GitHub:

Software Carpentries

If you are interested in getting started with Python, Bash, and git, checkout the Software Carpentries resource. Here is a list of Carpentries events I organised in Edinburgh:

Tutorials and Best Practices

Introduction to best practices in molecular simulations

Getting started with molecular simulations can be difficult, these best practices are a good starting point:

Markov State Models

If you want to learn more about Markov State models the pyEmma tutorial are a good starting point: