Adding Defect Analysis to the Materials Project – Jimmy Shen on pymatgen-analysis-defects JOSSCast: Open Source for Researchers

#7: Jimmy Shen sat down with Arfon and Abby to discuss the role of defect analysis in semiconductor research, the Materials Project, and the development of pymatgen-analysis-defects.

Jimmy is a postdoc at the Lawrence Livermore National Laboratory where he tries his best to automate himself away.

You can follow Jimmy on GitHub @jmmshn, Linkedin, or on Google Scholar.

See the show notes: https://blog.joss.theoj.org/2024/04/josscast-7-adding-defect-analysis-to-the-materials-project



Episode Highlights


[00:02:19] Introducing pymatgen-analysis-defects and the Materials Project
[00:07:09] pymatgen packages
[00:07:36] Importance of defects in semiconductor research
[00:11:19] Target audiences and alternatives
[00:15:11] pymatgen-analysis-defects in the broader open source ecosystem
[00:18:15] JOSS review
[00:19:12] Contribute to pymatgen-analysis-defects

Links


JOSS paper: https://joss.theoj.org/papers/10.21105/joss.05941
pymatgen-analysis-defects repository: https://github.com/materialsproject/pymatgen-analysis-defects
Jimmy on (GitHub, Linkedin Google Scholar)
The Journal of Open Source Software (Twitter/X, blog)
@arfon on (fosstodon, Linkedin, GitHub, website)
@abbycabs on (Twitter/X, hachyderm, bsky, Linkedin, GitHub, website)
Donate to JOSS

See the show notes: https://blog.joss.theoj.org/2024/04/josscast-7-adding-defect-analysis-to-the-materials-project