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Vibe CatalysisAoni XuBuild, import, relax, compare, and visualize heterogeneous-catalysis adsorption structures with ASE and FAIR-Chem UMA.

Publisher subtitle

Run ASE + UMA adsorption

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Publisher keywords · listing

catalysis ASE FAIR-Chem UMA adsorption

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Publisher description

Build, import, relax, compare, and visualize heterogeneous-catalysis adsorption structures with ASE and FAIR-Chem UMA.

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Publisher full description

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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Developer ToolsVersion 1.3.0
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