Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
Role in this project:
Back-end Developer Contributions:67 commits in 1 year 6 months
Contributions summary:Sai's contributions primarily involved the development and refinement of the pymatgen library, focusing on the analysis of Pourbaix diagrams. They implemented and modified functionalities within the `pymatgen/analysis/pourbaix` module, including the framework for Pourbaix diagram calculations and chemical potential range mapping. The user also fixed bugs and made improvements to the code related to this specific module, demonstrating a focus on materials science analysis.
pymatgenpythonsciencematerials-sciencematerials-informatics
Python analysis library powering the Materials Project
Contributions:63 commits in 1 year 6 months
python