Explore @MaterSim Open Source projects

Materials Simulation Group (@MaterSim)

MaterSim

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PyXtal

A code to generate atomic structure with symmetry

ComputationalPhysics300

computational physics class taught at UNLV (Phys300)

Jupyter Notebook

PyXtal_FF

Machine Learning Interatomic Potential Predictions

vasprun

quick analysis of vasp calculation

CMS

Some ongoing projects in Zhu's group

MolecularPacking

A public repo to compare the crystal packing similarity

Jupyter Notebook