Trajectory Propagation of Symmetrical Quasi-classical Dynamics with Meyer-Miller Mapping Hamiltonian Using Machine Learning-Reference-Cited by-同舟云学术

Trajectory Propagation of Symmetrical Quasi-classical Dynamics with Meyer-Miller Mapping Hamiltonian Using Machine Learning

Published:2022-12-13 Issue:50 Volume:13 Page:11678-11688
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Lin Kunni¹²^ORCID,Peng Jiawei¹²,Xu Chao²³^ORCID,Gu Feng Long²³^ORCID,Lan Zhenggang²³^ORCID

Affiliation:

1. School of Chemistry, South China Normal University, Guangzhou 510006, P. R. China

2. MOE Key Laboratory of Environmental Theoretical Chemistry, South China Normal University, Guangzhou 510006, P. R. China

3. SCNU Environmental Research Institute, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety, School of Environment, South China Normal University, Guangzhou 510006, P. R. China

Funder

National Natural Science Foundation of China

Key Laboratory of Optoelectronic Chemical Materials and Devices of Ministry of Education, Jianghan University

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.2c02159

Reference97 articles.

1. Neural Network Potential Energy Surfaces for Small Molecules and Reactions

2. Machine Learning for Electronically Excited States of Molecules

3. Machine learning of accurate energy-conserving molecular force fields

4. ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost

5. Representing potential energy surfaces by high-dimensional neural network potentials

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