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  1. OCdataset_analysis_for_HER_OER OCdataset_analysis_for_HER_OER Public

    Scripts for the paper 'Adsorption energies are necessary but not sufficient to identify good catalysts'.

    Python 2

  2. MultiRegion_meshing_with_OpenFOAM_ex1 MultiRegion_meshing_with_OpenFOAM_ex1 Public

    Multi-region Meshing with OpenFOAM (using the example of a tube reactor with a deposition substrate)

    C++

  3. exploration_catalyst exploration_catalyst Public

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  4. meshing_with_OpenFOAM_ex1 meshing_with_OpenFOAM_ex1 Public

    Single-region (fluid-only) meshing with OpenFOAM: tube reactor with a substrate (where deposition occurs) treated as a wall boundary.

    C++