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Keyword
- density functional theory2
- Big data1
- Density functional theory1
- Electronic Structure1
- Function Visualization1
- High throughput1
- Inorganic compounds1
- Interpretable Machine Learning1
- Machine learning1
- Magnetizability1
- Materials discovery1
- Molecular dynamics1
- Neural Network1
- Protein folding1
- Pure sciences1
- Relativity1
- Single-Molecule Magnets1
- Theoretical Chemistry1
- Time-resolved1
- X-ray absorption1