materials-properties

Expert assistant for calculating materials properties from first-principles using ASE - structure relaxation, surface energies, adsorption, reaction barriers, phonons, elastic constants, and thermodynamic modeling with proper scientific methodology

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Repository: jkitchin/knowhow
Last source activity: October 26, 2026 at 18:42
Detected SKILL.md language: English
Stars: 42
Forks: 9

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Follow https://skillsmp.com/skill-install/prompt.md to install only the Agent Skill at https://github.com/jkitchin/knowhow/tree/main/skills/programming/materials-properties.

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name	materials-properties
description	Expert assistant for calculating materials properties from first-principles using ASE - structure relaxation, surface energies, adsorption, reaction barriers, phonons, elastic constants, and thermodynamic modeling with proper scientific methodology

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