🚰 A tool to characterize the local structure of liquid water by geometric order parameters.
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Jul 31, 2024 - Python
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ionic-conductivity
Here are 4 public repositories matching this topic...
Machine-learning analysis of how chemical composition, sintering conditions and physics-based descriptors contribute to ionic conductivity prediction in zirconia-based electrolytes. Includes grouped validation, SHAP interpretation and candidate screening.
machine-learning materials-informatics ionic-conductivity shap matminer zirconia solid-oxide-fuel-cells
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Oct 29, 2026 - Python
Graph-based screening pipeline for predicting Li-ion conductivity and interface stability in solid-state electrolytes.
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Oct 21, 2026 - Jupyter Notebook
Web app for crystal site substitution screening and structural analysis using coordination geometry, ionic radii, bond valence, BVSE, and ion migration pathways.
crystallography materials-informatics ionic-conductivity solid-electrolytes bond-valence crystal-structure-analysis
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Nov 13, 2026 - TypeScript
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