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Vibe Catalysis

Aoni XuDeveloper Tools

ChatGPTPluginHome, family & petsConsumers

Generate or import catalyst structures, run ASE + UMA adsorption calculations, and compare CO-family hydrogenation with an explicit H2-referenced computational hydrogen electrode energy profile.

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Best rank#4632 upDeveloper ToolsCharts1Developer Tools
CreatedAug 6
OverviewRanks1Changes

Rankings

Developer Tools2 up#463

Skills

  • vibe-catalysis

Starter prompts

  • Calculate CO adsorption on Cu(111) and compare sites.
  • Use my uploaded catalyst structure and selected active atoms to calculate and plot CO adsorption.
  • Compare the CHE reaction energies of CO* to CHO* and CO* to COH* at 0 V vs SHE.