HTMACat-kit

Contents:

  • Installation Guide
  • Getting started
  • Examples
    • Formic acid adsorption (Cu-doped Au)
    • Formic acid adsorption (SMILES)
    • Formic acid adsorption (building supercell)
    • Nanoparticle (pristine Pt)
    • CO2 reduction
    • PROX adsorption (Pt)
    • TMA (Cu111)
    • The description of Example
  • HTMACat package
HTMACat-kit
  • Examples
  • View page source

Examples

  • Formic acid adsorption (Cu-doped Au)
  • Formic acid adsorption (SMILES)
  • Formic acid adsorption (building supercell)
  • Nanoparticle (pristine Pt)
  • CO2 reduction
  • PROX adsorption (Pt)
  • TMA (Cu111)
  • The description of Example
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© Copyright 2023, Jiaqiang Yang; Feifeng Wu; Bin Shan.

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