Atomistic neural network representations for chemical dynamics simulations of molecular, condensed phase, and interfacial systems: Efficiency, representability, and generalization-Reference-Cited by-同舟云学术

Atomistic neural network representations for chemical dynamics simulations of molecular, condensed phase, and interfacial systems: Efficiency, representability, and generalization

Published:2022-11-16 Issue: Volume: Page:
ISSN:1759-0876
Container-title:WIREs Computational Molecular Science
language:en
Short-container-title:WIREs Comput Mol Sci

Author:

Zhang Yaolong¹,Lin Qidong¹,Jiang Bin¹^ORCID

Affiliation:

1. Department of Chemical Physics, School of Chemistry and Materials Science, Key Laboratory of Surface and Interface Chemistry and Energy Catalysis of Anhui Higher Education Institutes University of Science and Technology of China Hefei Anhui China

Funder

National Natural Science Foundation of China

Publisher

Wiley

Subject

Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.1645

Reference215 articles.

1. Zur Quantentheorie der Molekeln

2. Direct Dynamics Simulations

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