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@GreeleyGroup

Greeley Group

Computational catalyst modeling and material discovery for energy application

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  3. Installing_vasp Installing_vasp Public

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  6. SlabGCN SlabGCN Public

    Split Learners for Adsorbate Binding Graph Convolutional Network (SlabGCN) is a graph neural network model to predict bulk, surface, and adsorption properties of multimetallic, disordered "high-ent…

    Python

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  • surface_reconstructions Public

    DFT study of disordered CoMo surface alloys combining a Film Generation Algorithm with canonical and grand canonical phase diagrams to identify stable pseudomorphic and non-pseudomorphic surface reconstructions for ammonia decomposition catalysis.

    GreeleyGroup/surface_reconstructions’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated May 25, 2026
  • SlabGCN Public

    Split Learners for Adsorbate Binding Graph Convolutional Network (SlabGCN) is a graph neural network model to predict bulk, surface, and adsorption properties of multimetallic, disordered "high-entropy" alloys.

    GreeleyGroup/SlabGCN’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Jan 23, 2026
  • active_learning Public
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    Jupyter Notebook 0 0 0 0 Updated Dec 8, 2024
  • alloy_stability Public

    Alloy stability analyses and data.

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    Jupyter Notebook 0 0 0 0 Updated Sep 26, 2024
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    Python 2 1 0 0 Updated May 24, 2024
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    Python 0 0 0 0 Updated Feb 17, 2024
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    GreeleyGroup/nmf’s past year of commit activity
    Python 1 0 0 1 Updated May 8, 2023
  • Installing_vasp Public
    GreeleyGroup/Installing_vasp’s past year of commit activity
    Fortran 0 1 0 0 Updated Mar 17, 2023

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