Artificial intelligence-enhanced quantum chemical method with broad applicability

Artificial intelligence is combined with quantum mechanics to break the limitations of traditional methods and create a new general-purpose method for computational chemistry simulations with high accuracy, speed and transferability.

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Detalles Bibliográficos
Autores principales: Peikun Zheng, Roman Zubatyuk, Wei Wu, Olexandr Isayev, Pavlo O. Dral
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2021
Materias:
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Acceso en línea:https://doaj.org/article/4e8a65d514a545c3b9b9c5a6df51d4b0
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Descripción
Sumario:Artificial intelligence is combined with quantum mechanics to break the limitations of traditional methods and create a new general-purpose method for computational chemistry simulations with high accuracy, speed and transferability.