All

22 repositories

catalysis-analysis
Public
Theme-level skill for catalysis analysis, including adsorption energies, d-band centers, and reaction barriers.
dft analysis skills
dft analysis skills materials-science catalysis agent-skills chatmaterials
Python
•
MIT License
•0•0•0•3•Updated Mar 11, 2026Mar 11, 2026
defect-analysis
Public
Theme-level skill for defect DFT analysis, including formation energies and structural distortion.
dft analysis skills
dft analysis skills defects materials-science agent-skills chatmaterials
Python
•
MIT License
•0•0•0•3•Updated Mar 11, 2026Mar 11, 2026
magnetism-analysis
Public
Theme-level skill for magnetic DFT analysis, including moments and energy comparison across magnetic states.
dft analysis skills
dft analysis skills magnetism materials-science agent-skills chatmaterials
Python
•
MIT License
•0•0•0•3•Updated Mar 11, 2026Mar 11, 2026
superconductivity-analysis
Public
Theme-level skill for superconductivity analysis, including electron-phonon coupling, phonons, and Tc estimates.
dft analysis skills
dft analysis skills materials-science superconductivity agent-skills chatmaterials
Python
•
MIT License
•0•0•0•3•Updated Mar 11, 2026Mar 11, 2026
topology-analysis
Public
Theme-level skill for topological materials analysis, including invariants, Wilson loops, and surface spectra.
topology dft analysis
topology dft analysis skills materials-science agent-skills chatmaterials
Python
•
MIT License
•0•0•0•3•Updated Mar 10, 2026Mar 10, 2026
battery-analysis
Public
Theme-level skill for battery DFT analysis, including insertion voltage, volume change, and migration barriers.
dft analysis skills
dft analysis skills materials-science agent-skills chatmaterials battery-materials
Python
•
MIT License
•0•0•0•3•Updated Mar 10, 2026Mar 10, 2026
dielectric-analysis
Public
Theme-level skill for dielectric analysis, including dielectric tensors, Born charges, and optical response.
dft analysis skills
dft analysis skills materials-science dielectric-properties agent-skills chatmaterials
Python
•
MIT License
•0•0•0•3•Updated Mar 10, 2026Mar 10, 2026
mechanics-analysis
Public
Theme-level skill for mechanics analysis, including EOS fits, elastic tensors, and stress states.
dft analysis skills
dft analysis skills materials-science mechanical-properties agent-skills chatmaterials
Python
•
MIT License
•0•0•0•3•Updated Mar 10, 2026Mar 10, 2026
transport-analysis
Public
Theme-level skill for transport analysis, including carrier type, effective mass, and transport trends.
dft analysis skills
dft analysis skills materials-science transport-properties agent-skills chatmaterials
Python
•
MIT License
•0•0•0•3•Updated Mar 10, 2026Mar 10, 2026
chatmaterials.github.io
Public
HTML
•0•0•0•0•Updated Mar 10, 2026Mar 10, 2026
abinit-analysis
Public
Agent skill for ABINIT result analysis, including energies, DOS, bands, and compact reports.
dft analysis skills
dft analysis skills materials-science abinit agent-skills chatmaterials
Python
•
MIT License
•0•0•0•3•Updated Mar 10, 2026Mar 10, 2026
qe-analysis
Public
Agent skill for Quantum ESPRESSO result analysis, including energies, DOS, bands, and projected orbitals.
dft analysis skills
dft analysis skills materials-science quantum-espresso agent-skills chatmaterials
Python
•
MIT License
•0•0•0•3•Updated Mar 10, 2026Mar 10, 2026
lammps-analysis
Public
Agent skill for LAMMPS thermo analysis, run comparison, and stability checks.
analysis skills molecular-dynamics
analysis skills molecular-dynamics lammps materials-science agent-skills chatmaterials
Python
•
MIT License
•0•0•0•3•Updated Mar 10, 2026Mar 10, 2026
vasp-analysis
Public
Agent skill for VASP result analysis, including energies, DOS, bands, magnetism, voltage, and NEB.
dft analysis skills
dft analysis skills vasp materials-science agent-skills chatmaterials
Python
•
MIT License
•0•1•0•3•Updated Mar 10, 2026Mar 10, 2026
wannier90-analysis
Public
Agent skill for Wannier90 spread, convergence, and model-quality analysis.
dft analysis skills
dft analysis skills materials-science wannier90 agent-skills chatmaterials
Python
•
MIT License
•0•0•0•3•Updated Mar 10, 2026Mar 10, 2026
lammps-workflows
Public
Agent skill for LAMMPS simulation setup, force-field checks, restarts, and scheduler scripts.
skills molecular-dynamics lammps
skills molecular-dynamics lammps materials-science workflows agent-skills chatmaterials
Python
•
MIT License
•0•1•0•3•Updated Mar 10, 2026Mar 10, 2026
abinit-workflows
Public
Agent skill for ABINIT workflow setup, convergence checks, restarts, and scheduler scripts.
dft skills materials-science
dft skills materials-science workflows abinit agent-skills chatmaterials
Python
•
MIT License
•0•0•0•3•Updated Mar 10, 2026Mar 10, 2026
wannier90-workflows
Public
Agent skill for Wannier90 input design, parent handoff checks, and localization workflows.
dft skills materials-science
dft skills materials-science workflows wannier90 agent-skills chatmaterials
Python
•
MIT License
•0•0•0•3•Updated Mar 10, 2026Mar 10, 2026
wanniertools-analysis
Public
Agent skill for WannierTools surface-state, Fermi-arc, and Wilson-loop analysis.
dft analysis skills
dft analysis skills materials-science wanniertools agent-skills chatmaterials
Python
•
MIT License
•0•0•0•3•Updated Mar 10, 2026Mar 10, 2026
vasp-workflows
Public
Agent skill for VASP DFT workflow setup, convergence checks, restarts, and scheduler scripts.
dft skills vasp
dft skills vasp materials-science workflows agent-skills chatmaterials
Python
•
MIT License
•0•1•0•3•Updated Mar 10, 2026Mar 10, 2026
qe-workflows
Public
Agent skill for Quantum ESPRESSO workflow setup, convergence checks, restarts, and scheduler scripts.
dft skills materials-science
dft skills materials-science quantum-espresso workflows agent-skills chatmaterials
Python
•
MIT License
•0•0•0•3•Updated Mar 10, 2026Mar 10, 2026
.github
Public
Organization profile and published skill catalog for ChatMaterials.
0•0•0•0•Updated Mar 10, 2026Mar 10, 2026

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chatmaterials

All

All

22 repositories

catalysis-analysis

defect-analysis

magnetism-analysis

superconductivity-analysis

topology-analysis

battery-analysis

dielectric-analysis

mechanics-analysis

transport-analysis

chatmaterials.github.io

abinit-analysis

qe-analysis

lammps-analysis

vasp-analysis

wannier90-analysis

lammps-workflows

abinit-workflows

wannier90-workflows

wanniertools-analysis

vasp-workflows

qe-workflows

.github

All

All

Repositories list

22 repositories