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  1. VASP-script VASP-script Public

    Forked from MabinogiX/VASP-script

    Perl 2

  2. FTIR FTIR Public

    FT-IR data collection and processing.

    Jupyter Notebook 1 2

  3. VASP_BOND_FIX VASP_BOND_FIX Public

    Forked from Chengcheng-Xiao/VASP_BOND_FIX

    Fixing bond length in relaxation process for VASP

  4. catmap catmap Public

    Forked from SUNCAT-Center/catmap

    Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening

    Python

  5. CO2RR-Adsorbates CO2RR-Adsorbates Public

    Forked from LuGroup/CO2RR-Adsorbates

    Accerlated Screening of supplementary adsorbate combinations for enhancing the CO dimerization reaction

    Jupyter Notebook