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Machine learning potential model for accelerating quantum chemistry‐driven property prediction and molecular design.

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Title: Machine learning potential model for accelerating quantum chemistry‐driven property prediction and molecular design.
Authors: Wu, Guoxin1, Zhao, Yujing1,2, Zhang, Lei1, Du, Jian1, Meng, Qingwei1,3, Liu, Qilei1,3, liuqilei@dlut.edu.cn
Source: AIChE Journal; May2025, Vol. 71 Issue 5, p1-17, 17p
Database: Applied Science & Technology Source
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Header DbId: aci
DbLabel: Applied Science & Technology Source
An: 184298503
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PubType: Academic Journal
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  Data: Machine learning potential model for accelerating quantum chemistry‐driven property prediction and molecular design.
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  Data: <searchLink fieldCode="AU" term="%22Wu%2C+Guoxin%22">Wu, Guoxin</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AU" term="%22Zhao%2C+Yujing%22">Zhao, Yujing</searchLink><relatesTo>1,2</relatesTo><br /><searchLink fieldCode="AU" term="%22Zhang%2C+Lei%22">Zhang, Lei</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AU" term="%22Du%2C+Jian%22">Du, Jian</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AU" term="%22Meng%2C+Qingwei%22">Meng, Qingwei</searchLink><relatesTo>1,3</relatesTo><br /><searchLink fieldCode="AU" term="%22Liu%2C+Qilei%22">Liu, Qilei</searchLink><relatesTo>1,3</relatesTo>, <i>liuqilei@dlut.edu.cn</i>
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PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=aci&AN=184298503
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        Value: 10.1002/aic.18741
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        Text: English
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      – TitleFull: Machine learning potential model for accelerating quantum chemistry‐driven property prediction and molecular design.
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            NameFull: Zhao, Yujing
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            NameFull: Zhang, Lei
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            NameFull: Du, Jian
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              M: 05
              Text: May2025
              Type: published
              Y: 2025
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