Python in Chemistry
website
python
computing
The pythoninchemistry pages are a series of resources for students and educators alike. They aim to combine an introduction to the Python programming language with an understanding of chemistry. This site will introduce a range of resources, covering how to get started with Python and how to make use of Jupyter notebooks. While allowing students to consolidate chemistry knowledge learnt in lectures and tutorials. The website includes Applications which demonstrate the use of python for solving problems in chemistry and Teaching blog posts explaining the use of an application in the classroom.
Topics include:
- Reproducible analysis
- Advanced practical chemistry
- pylj launch
- Errors and debugging, plotting, importing, loops
- Introduction to molecular dynamics for neutron scatters
- Blackbody radiation
Location
Contributors
This open-source project is run from the University of Bath by:
Dr. Fiona Dickinson
Dr. Ben Morgan
Dr. Andrew McCluskey