Neural network reactive force field for C, H, N, and O systems
Abstract Reactive force fields have enabled an atomic level description of a wide range of phenomena, from chemistry at extreme conditions to the operation of electrochemical devices and catalysis. While significant insight and semi-quantitative understanding have been drawn from such work, the accu...
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Autores principales: | , , , , , |
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Formato: | article |
Lenguaje: | EN |
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Nature Portfolio
2021
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Materias: | |
Acceso en línea: | https://doaj.org/article/29cd9e0fc0e54e598944fa305adc4586 |
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