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Keyword
- First-principles calculations[remove]3
- Cathode1
- Classical force fields1
- Computational Materials Science1
- Density Functional Theory1
- Large-scale DFT1
- Linear-scaling method or O(N) method1
- Mg-battery1
- Molecular Dynamics Simulations1
- Molecular dynamics simulations1
- Multi-component glass1
- Spinel Surface1
- Surface reconstruction1