- ๐จโ๐ป Iโm currently working on Density Functional Theory (DFT), Molecular Dynamics (MD) and Monte Carlo algorithm (MC), etc.
- ๐ช๐ผ Future Goals: Be a freelancer.
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lhycms / pymatgen Goto Github PK
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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.
Home Page: https://pymatgen.org
License: Other