Machine learning for reparameterization of four-site water models: TIP4P-BG and TIP4P-BGT-Reference-Cited by-同舟云学术

Machine learning for reparameterization of four-site water models: TIP4P-BG and TIP4P-BGT

Author:

Ye Hong-fei¹²³⁴⁵^ORCID,Wang Jian¹²³⁴⁵,Zheng Yong-gang¹²³⁴⁵,Zhang Hong-wu¹²³⁴⁵,Chen Zhen⁶⁷⁸⁹

Affiliation:

1. International Research Center for Computational Mechanics

2. State Key Laboratory of Structural Analysis for Industrial Equipment

3. Department of Engineering Mechanics

4. Faculty of Vehicle Engineering and Mechanics

5. Dalian University of Technology

6. Department of Civil and Environmental Engineering

7. University of Missouri

8. Columbia

9. USA

Abstract

Two high-precision water models are established based on the combination of a back-propagation neural network and genetic algorithm.

Funder

National Natural Science Foundation of China

Fundamental Research Funds for the Central Universities

Liaoning Revitalization Talents Program

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference54 articles.

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