Chris Lorenz from King's College London will give a brief overview of Gromacs software (who wrote it, what it can do, strengths/weaknesses), then provide a hands on session with installation (if needed), some example job scripts, talk through the workflow, submitting a job and looking at the results.

Alin Marin Elena from STFC will give a brief overview of Janus ML software, an example of how to use this software on the MMM Hub Young hardware (submitting jobs, input files), then provide an overview of a few applications from Alin's own research.