Deep learning generative model for conditional crystal structure prediction of sodium amide
Abstract Understanding the high-pressure behavior of sodium amide (NaNH2) is essential for its applications in hydrogen storage and chemical synthesis. Conventional structure prediction methods often struggle to accurately capture its pressure-induced phase transitions due to the complexity of its p...
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| Hauptverfasser: | , , |
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| Format: | Artigo |
| Sprache: | Inglês |
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Nature Portfolio
2026-02-01
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| Schriftenreihe: | npj Computational Materials |
| Online-Zugang: | https://doi.org/10.1038/s41524-026-01994-2 |
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