general-patent-search
Search for patents by keyword, material name, or assignee using free data sources (Google Patents).
132 repo starsObserved in 1 repos
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Research skills
Browse reusable Agent Skills, each with a clear purpose and practical guidance.
general-property-units
Reference guide for energy, force, and stress units across MLIPs, DFT codes, and ASE, including conversion factors.
132 repo starsObserved in 1 repos
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general-query-literature-database
Find relevant simulation workflows in the in-house literature database.
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mat-db-nist-janaf
Query the NIST Chemistry WebBook (which includes JANAF thermochemical tables) for standard experimental thermochemistry properties.
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mat-db-optimade
Query the Crystallography Open Database (COD) and other OPTIMADE-compliant databases for experimental crystal structures.
132 repo starsObserved in 1 repos
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mat-diffusion-analysis
Calculate ionic diffusion coefficients and activation energy from MD trajectories using pymatgen.
132 repo starsObserved in 1 repos
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mat-electronic-structure
Calculate electronic band structure and density of states using atomate2 and VASP.
132 repo starsObserved in 1 repos
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mat-grand-canonical-mc
Run Grand Canonical Monte Carlo (GCMC) simulations with cluster expansion models to map composition-temperature phase diagrams via chemical potential sweeps.
132 repo starsObserved in 1 repos
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mat-phase-diagram
Retrieve and visualize pre-computed phase diagrams from Materials Project for thermodynamic stability analysis.
132 repo starsObserved in 1 repos
Research