Vibe Catalysis
ChatGPT pluginRun ASE + UMA adsorption
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 tools460th of 742 by placement
| # | Plugin | Position | 7d |
|---|---|---|---|
| 458 | #5229 | 25places up | |
| 459 | #5231 | 269places up | |
| 460 | #5235 | 22places up | |
| 461 | #5239 | 23places up | |
| 462 | #5248 | 17places up |
Example 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.”
Skills
vibe-catalysis
Build and run local heterogeneous-catalysis adsorption calculations with ASE and FAIR-Chem UMA. Use when a user asks Codex to model, relax, rank, inspect, or estimate adsorption energies for CO, CHO/HCO, COH, CHOH, or CH2OH on a generated elemental fcc/bcc/hcp surface or a user-supplied catalyst slab/framework such as a COF, MOF, oxide, nitride, supported catalyst, CIF, POSCAR/CONTCAR, XYZ/EXTXYZ, or TRAJ; also use for the Vibe Catalysis ten-step workflow, adsorption-site enumeration, active-atom selection, fixed slab layers, UMA relaxation, data processing, plots, or generated structure/result files.
- Categories
- Sign-in
- On Install
- Capabilities
- Local computation, Scientific visualization
- Availability
- Available
- Version
- 1.3.0
- Keywords
- catalysis, ASE, FAIR-Chem, UMA, adsorption
- Created
- August 7, 2026
- Sponsorship
- Promote this plugin