defects-reactions
This skill group covers calculations involving crystallographic defects and chemical reaction pathways in solid-state materials. Two main approaches are
npx skills add majiayu000/claude-skill-registry --skill defects-reactions --agent claude-code
Same command for any agent — swap --agent for codex, cursor, copilot.
Weekly change comes from our own snapshots, not the repository page — it measures attention, not adoption.
--- name: defects-reactions description: Defects and Reactions (13 sub-skills: activation-relaxation-technique, adsorption-energy, configuration-coordinate, defect-thermodynamics, interstitial-defect, migration-barrier, neb-transition-state, point-defect, reaction-pathway, --- # Defects and Reactions ## Overview This skill group covers calculations involving crystallographic defects and chemical reaction pathways in solid-state materials. Two main approaches are available: 1. **MACE (via ASE)** -- Fast ML-potential-based calculations. Good for rapid screening of defect formation energies, NEB barriers, and adsorption energies. Seconds to minutes per calculation on typical supercells. 2. **Quantum ESPRESSO (QE)** -- Full DFT. Required for publication-quality energetics, charged defect calculations, electronic structure at defect sites, and accurate chemical bonding at surfaces. Both approaches follow workflows inspired by atomate2's defect, NEB, and adsorption flows: create the defect/surface structure, relax, compute relevant energies, and post-process thermodynamic quantities. ## Sub-Skills | Sub-Skill | Directory | Description | |---|---|---| | Activation Relaxation Technique | `
- Overview
- Sub-Skills
- Method Decision Guide
- Common Prerequisites
What does the defects-reactions skill do?
This skill group covers calculations involving crystallographic defects and chemical reaction pathways in solid-state materials. Two main approaches are
How do I install it?
Run `npx skills add majiayu000/claude-skill-registry --skill defects-reactions --agent claude-code` — it drops the skill into your project so the agent can pick it up. Swap the --agent value for codex, cursor or copilot if you use one of those.
Where does this skill come from?
From majiayu000/claude-skill-registry, a repository with 534 stars. We read it straight from the repository tree rather than a submitted listing, so what you see here is what is actually published.
Is a popular skill a good skill?
Not necessarily. Stars measure attention, not adoption — a repository can trend for a week and be abandoned. That is why we show the weekly change from our own snapshots next to the total, instead of a single flattering number.