Machine learning potentials of kaolinite based on the potential energy surfaces of GGA and meta-GGA density functional theory

Kobayashi, Keita ; Yamaguchi, Akiko ; Okumura, Masahiko

no abstracts in English

Language	:	English
Journal	:	Applied Clay Science
Volume	:	228
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Pages	:	p.106596_1 - 106596_11
Publication Year/Month	:	2022/10
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Paper URL	:	https://doi.org/10.1016/j.clay.2022.106596
DOI for research data	:
Keywords	:	機械学習; 分子動力学シミュレーション; 粘土鉱物
Research Facility	:	大型計算機・スパコン(東海)
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Accesses	:	- Accesses
Web of Science® Times Cited Count	:	Times Cited Count： If you would like to get the latest times cited, please access the Web of Science®. http://www.webofknowledge.com/wos
InCites™	:	Percentile:77.65 Category:Chemistry, Physical
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Registration No. : AA20210326
JAEA Abstracts No. : 50000799
Paper Submission No. : 25519

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