- First year natural science students
- Mixture of chem/phys and bio/chem

**Jupyter**notebooks provides a user-friendly environment- Students can access the notebooks online via MyBinder

- Programming requires the mathematics to be
**broken down** - Can provide instantenous feedback in problem based learning

- Does it improve engagement?
- Will it foster transferable skills?
- Do the students like it?

- Students appear anecdotally engaged during tutorials
- Tutorial students attached modified notebooks to
**help**emails

- Bath has dedicated computational chemistry labs
- Needed a tool to introduce molecular dynamics/Monte-Carlo

- Open-source, Python library to
**engage**students in classical atomistic simulation - Can be used to introduce molecular dynamics or Monte-Carlo simulation
- Or used to show how simulation can describe physical systems

- Paper in Journal of Open-Source Education, 1(2), 19. DOI: 10.21105/jose.00019
- MIT Licence; source code available on GitHub
- Bath physics PDRA
**forked**it to make pysing

- Molecular dynamics - pythoninchemistry.org/pylj/md
- Monte Carlo - pythoninchemistry.org/pylj/mc

- Check out pythoninchemistry.org
- Utilise tools like Jupyter notebooks
- Engage students to analyse data programmatically
- Come have a chat!