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Focusing
Postgrad in Materials Science & Code Develop
Highlights
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InterfaceML
InterfaceML PublicPython research tools for coherent and adsorbate interface construction, layer constraints, CP2K input preparation, and equivariant molecular generation, with a Flask UI.
Python
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solar-cell-LLM-database
solar-cell-LLM-database PublicExample Spiro/MAPICl/TiO2 device parameters and simulation-output workbooks for current, potential, energy, and recombination analysis.
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nebmake-mol
nebmake-mol PublicMolecular-orientation-aware NEB starting structures for MAPbI3: interpolates molecular centers and angles with initial internal geometry, then combines the Pb-I framework.
Python 1
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