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Development · By learningmatter-mit
Skills
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| # | Skill | Repository | Stars | Used in | Tokens | Auto-check | Licence | Updated |
|---|---|---|---|---|---|---|---|---|
| 1 | Calculate and plot multi-component temperature-composition phase diagrams from Thermodynamic Database (.tdb) files using CALPHAD methods. | learningmatter-mit/ | 176 | — | ~660 | Automated safety check: Pass | MIT | yesterday |
| 2 | Calculate charged defect formation energies and transition level diagrams using pymatgen-analysis-defects and atomate2 VASP workflows. | learningmatter-mit/ | 176 | — | ~1.6k | Automated safety check: Pass | MIT | yesterday |
| 3 | Run Grand Canonical Monte Carlo (GCMC) simulations with cluster expansion models to map composition-temperature phase diagrams via chemical potential sweeps. | learningmatter-mit/ | 176 | — | ~1.8k | Automated safety check: Pass | MIT | yesterday |
| 4 | Retrieve and visualize pre-computed phase diagrams from Materials Project for thermodynamic stability analysis. | learningmatter-mit/ | 176 | — | ~1.2k | Automated safety check: Pass | MIT | yesterday |
| 5 | Calculate Pourbaix (pH-voltage) diagrams for aqueous electrochemical stability using water-corrected MLIP energies and pymatgen. | learningmatter-mit/ | 176 | — | ~2.6k | Automated safety check: Pass | MIT | yesterday |
