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@catalyticmaterials

CHEAC - Center of High Entropy Alloy Catalysis

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  1. cheat cheat Public

    Computational tools for simulation of high-entropy alloy surfaces

    Python 18 1

  2. HEA-nanoparticle-dissolution-model HEA-nanoparticle-dissolution-model Public

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  3. CN_coupling_on_HEA CN_coupling_on_HEA Public

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  4. Cl-Cu_adsorbtion Cl-Cu_adsorbtion Public

    Chlorine on Copper

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  5. AgPdPtRu_ORR AgPdPtRu_ORR Public

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  6. LibXC-functionals-molecules LibXC-functionals-molecules Public

    Example of using LibXC to evaluate energies for gas reactions

    Python

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