Chemistry-Informed Generative Model for Classical Dynamics Simulations-Reference-Cited by-同舟云学术

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Chemistry-Informed Generative Model for Classical Dynamics Simulations

Published:2024-01-09 Issue:2 Volume:15 Page:532-539
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Miao Zekai¹,Zhang Xingyu¹^ORCID,Zhang Yuyuan¹,Wang Lemei²,Meng Qingyong¹^ORCID

Affiliation:

1. Department of Chemistry, Northwestern Polytechnical University, West Youyi Road 127, 710072 Xi’an, China

2. Ministry-of-Education Engineering Center for Embedded System Integration, Northwestern Polytechnical University, West Youyi Road 127, 710072 Xi’an, China

Funder

Fundamental Research Funds for the Central Universities

National Natural Science Foundation of China

Xi’an Modern Chemistry Research Institute

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.3c03114

Reference33 articles.

1. Multiconfiguration Pair-Density Functional Theory

2. Neural network potential-energy surfaces in chemistry: a tool for large-scale simulations

3. Constructing high-dimensional neural network potentials: A tutorial review

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