surface-adsorption
Surface and adsorbate workflow for CO/Pt(111), adsorption energies, site/orientation comparison, and same-functional accounting.
Skill by chouyoudou
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Install
Works with Claude Code, Claude apps, Codex, Cursor, Gemini CLI, GitHub Copilot, VS Code, OpenCode, Goose, Windsurf. Read the repository before you give any tool access to your data.
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About
Use cases: productivity, finance
Reviews
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Permissions
What this skill can do and what it asks for, from its SKILL.md. Checked Oct 25, 2026.
- Tools
- No tools found
- Secrets
- None asked for
- Install scripts
- None found
Network hosts it talks to 1
codeload.github.com· found in install command
Files it touches
~/.claude/skills/surface-adsorption
What's inside
- Skill name
surface-adsorption- Description
- Surface and adsorbate workflow for CO/Pt(111), adsorption energies, site/orientation comparison, and same-functional accounting.
- License
- MIT
- Instructions
- 23 lines in SKILL.md · view on GitHub
Files (1)
- SKILL.md
SKILL.md (first lines)
# Surface Adsorption ## Procedure 1. Generate or identify the clean slab, isolated adsorbate, and adsorbed slab. 2. Use the same functional and pseudopotential family for every component. 3. For CO/Pt(111) p(2x2), compare relevant sites and orientations explicitly. 4. Compute adsorption energy from finished component energies with `matsci_compute_adsorption_energy`. 5. Rank site/orientation energies with `matsci_compare_adsorption_sites` and report the energy-difference sign convention. ## Pitfalls - Do not compare PBE components to BEEF-vdW components. - Do not infer an adsorption energy from a slab+adsorbate calculation alone. - Keep coverage, slab size, fixed layers, and orientation labels in artifacts. ## Verification Run `matsci_run_harness` with suite `copt`.
From chouyoudou/matsci-mcp, MIT.
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Signals
- Stars
- 0
- Forks
- 0
- Open issues
- 1
- Last commit (this folder)
- Apr 27, 2026 (6 months ago)
From GitHub (fetched Oct 24, 2026).
Details
- License
- MIT
- Repository
- github.com/chouyoudou/matsci-mcp
- First seen
- Oct 24, 2026
- Last checked
- Oct 24, 2026
- Source
- GitHubgithub-graphql
Same skill elsewhere
Copies of this SKILL.md published by others; search shows only one of them.
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surface-adsorption skill. Agent Mart. https://agentmart.dev/skills/chouyoudou-surface-adsorption (last updated 2026-10-24)