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Reconstruction of thoughts
Computational chemist, material scientist, high-entropy alloys, solid-state batteries, Hydrogen, ML/AI, Agentic workflow and critical thinking
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High-Entropy-Alloys
High-Entropy-Alloys PublicGenerate random alloys and compute various properties
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vasp-grace-tensorpotential
vasp-grace-tensorpotential PublicA wrapper to use GRACE MLIP as a substitute for VASP/DFT backend to do various solid state systems advance analysis
Python 2
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Metal-Organic-Framework
Metal-Organic-Framework Public templateA code to generate MOFs structure with a specific structure design
Python 4
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