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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Autores principales:	Peikun Zheng, Roman Zubatyuk, Wei Wu, Olexandr Isayev, Pavlo O. Dral
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/4e8a65d514a545c3b9b9c5a6df51d4b0
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spelling	oai:doaj.org-article:4e8a65d514a545c3b9b9c5a6df51d4b02021-12-05T12:22:55ZArtificial intelligence-enhanced quantum chemical method with broad applicability10.1038/s41467-021-27340-22041-1723https://doaj.org/article/4e8a65d514a545c3b9b9c5a6df51d4b02021-12-01T00:00:00Zhttps://doi.org/10.1038/s41467-021-27340-2https://doaj.org/toc/2041-1723Artificial 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.Peikun ZhengRoman ZubatyukWei WuOlexandr IsayevPavlo O. DralNature PortfolioarticleScienceQENNature Communications, Vol 12, Iss 1, Pp 1-13 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Peikun Zheng Roman Zubatyuk Wei Wu Olexandr Isayev Pavlo O. Dral Artificial intelligence-enhanced quantum chemical method with broad applicability
description	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.
format	article
author	Peikun Zheng Roman Zubatyuk Wei Wu Olexandr Isayev Pavlo O. Dral
author_facet	Peikun Zheng Roman Zubatyuk Wei Wu Olexandr Isayev Pavlo O. Dral
author_sort	Peikun Zheng
title	Artificial intelligence-enhanced quantum chemical method with broad applicability
title_short	Artificial intelligence-enhanced quantum chemical method with broad applicability
title_full	Artificial intelligence-enhanced quantum chemical method with broad applicability
title_fullStr	Artificial intelligence-enhanced quantum chemical method with broad applicability
title_full_unstemmed	Artificial intelligence-enhanced quantum chemical method with broad applicability
title_sort	artificial intelligence-enhanced quantum chemical method with broad applicability
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/4e8a65d514a545c3b9b9c5a6df51d4b0
work_keys_str_mv	AT peikunzheng artificialintelligenceenhancedquantumchemicalmethodwithbroadapplicability AT romanzubatyuk artificialintelligenceenhancedquantumchemicalmethodwithbroadapplicability AT weiwu artificialintelligenceenhancedquantumchemicalmethodwithbroadapplicability AT olexandrisayev artificialintelligenceenhancedquantumchemicalmethodwithbroadapplicability AT pavloodral artificialintelligenceenhancedquantumchemicalmethodwithbroadapplicability
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Artificial intelligence-enhanced quantum chemical method with broad applicability

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