Lightweight Extendable Stacking Framework for Structure Classification in Atomistic Simulations-Reference-Cited by-同舟云学术

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Lightweight Extendable Stacking Framework for Structure Classification in Atomistic Simulations

Published:2023-11-15 Issue:22 Volume:19 Page:8332-8339
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Deng Yanhao¹^ORCID,Wang Yangyang¹,Xu Ke²,Wang Yanming¹^ORCID

Affiliation:

1. University of Michigan─Shanghai Jiao Tong University Joint Institute, Shanghai Jiao Tong University, 800 Dongchuan Rd., Minhang District, Shanghai 200240, P. R. China

2. School of Materials Science and Engineering, Jilin University, 5988 Renmin Street, Changchun, Jilin 130022, P. R. China

Funder

Natural Science Foundation of Shanghai Municipality

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00838

Reference45 articles.

1. Transportation of Janus nanoparticles in confined nanochannels: a molecular dynamics simulation

2. Molecular dynamics simulated by photons

3. Thermodynamics and Kinetics of Drug-Target Binding by Molecular Simulation

4. Oxygen Defect Engineering of β‐MnO 2 Catalysts via Phase Transformation for Selective Catalytic Reduction of NO

5. Insightful classification of crystal structures using deep learning

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