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1 Ergebnisse
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Enhancing Molecular Energy Predictions with Physically Cons..:
Fu, Weiqiang
;
Mo, Yujie
;
Xiao, Yi
...
Journal of Chemical Theory and Computation. 20 (2024) 11 - p. 4533-4544 , 2024
Link:
https://doi.org/10.1021/acs.jctc.3c01181
RT Journal T1 <Title>Enhancing Molecular Energy Predictions with Physically Constrained Modifications to the Neural Network Potential</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.3c01181&Exemplar=1&LAN=DE A1 Fu, Weiqiang A1 Mo, Yujie A1 Xiao, Yi A1 Liu, Chang A1 Zhou, Feng A1 Wang, Yang A1 Zhou, Jielong A1 Zhang, Yingsheng J. PB American Chemical Society (ACS) YR 2024 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 20 IS 11 SP 4533 OP 4544 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.3c01181 DO https://doi.org/10.1021/acs.jctc.3c01181 SF ELIB - SuUB Bremen
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