Hybrid Machine Learning-Enabled Potential Energy Model for Atomistic Simulation of Lithium Intercalation into Graphite from Plating to Overlithiation-Reference-Cited by-同舟云学术

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Hybrid Machine Learning-Enabled Potential Energy Model for Atomistic Simulation of Lithium Intercalation into Graphite from Plating to Overlithiation

Published:2023-05-04 Issue:14 Volume:19 Page:4533-4545
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Yang Po-Yu¹,Chiang Yu-Hsuan²,Pao Chun-Wei¹³^ORCID,Chang Chien-Cheng²

Affiliation:

1. Research Center for Applied Sciences, Academia Sinica, 128 Academia Road, Section 2, Nankang, Taipei 11529, Taiwan

2. Institute of Applied Mechanics, National Taiwan University, No. 1, Roosevelt Road, Section 4, Taipei 106216, Taiwan

3. Department of Materials Science and Engineering, National Dong-Hwa University, No. 1, Section 2, Da Hsueh Road, Shoufeng, Hualien 974301, Taiwan

Funder

Academia Sinica

Ministry of Science and Technology, Taiwan

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00050

Reference60 articles.

1. Dihedral-angle-corrected registry-dependent interlayer potential for multilayer graphene structures

2. Ziegler, J. F.; Biersack, J. P. In Astrophysics, Chemistry, and Condensed Matter; Bromley, D. A., Ed. Treatise on Heavy-Ion Science, Vol. 6; Springer: Boston, MA, 1985; pp 93–129.

3. Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials

4. The Development and Future of Lithium Ion Batteries

5. Issues and challenges facing rechargeable lithium batteries

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Scalable Parallel Algorithm for Graph Neural Network Interatomic Potentials in Molecular Dynamics Simulations;Journal of Chemical Theory and Computation;2024-05-30

2. Decoding Electrochemical Processes of Lithium‐Ion Batteries by Classical Molecular Dynamics Simulations;Advanced Energy Materials;2024-03-19

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