Predicting thermodynamic stability of inorganic compounds using ensemble machine learning based on electron configuration
Abstract Machine learning offers a promising avenue for expediting the discovery of new compounds by accurately predicting their thermodynamic stability. This approach provides significant advantages in terms of time and resource efficiency compared to traditional experimental and modeling methods....
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| Auteurs principaux: | , , , , , |
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| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
Nature Portfolio
2025-01-01
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| Collection: | Nature Communications |
| Accès en ligne: | https://doi.org/10.1038/s41467-024-55525-y |
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