This Materials Virtual Lab repository contains Jupyter notebooks that demonstrate the utilization of open-source codes for the study of materials science.
We frequently get requests (from students, postdocs, collaborators, or just general users) for example codes that demonstrate various capabilities in the open-source software we maintain and contribute to, such as the Materials Project software stack comprising Python Materials Genomics (pymatgen), Custodian, and Fireworks. This repo is a start at building a more sustainable path towards sharing of code examples.
It is not limited to the codes we develop - any use of open source software for materials analysis is welcome. Also, anyone is welcome to contribute.
Just fork, write your awesome notebook and submit a pull request.
-
Notebooks should be well-documented and simple. The idea here is to be pedagogical. A newcomer to the software (with the right materials science background) should be able to follow the logic without too much difficulty.
-
Notebooks should be placed in the appropriate year folder, and the name should start with the date of the notebook in YYYYMMDD format. See existing examples.
-
Feel free to add authorship and contact information, as well as works to cite and acknowledge your contributions.