home/categories/scientific-computing/jkitchin-skillz-skills-programming-materials-properties-skill-md
scientific-computingresearch
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
maintainer
jkitchin
Atualizado 3/7/2026
Estrelas
24
Forks
5
quick start
Installation and usage
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
Instalação
$ install --globalskills.sh
Uso
Depois de instalar, você pode usar esta skill executando o seguinte comando no terminal:
skills use materials-properties