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Predicting Lattice Vibrational Frequencies Using Deep Graph Neural Networks
External Source
chorus
Document Type
Accepted Manuscript
Authors
Nghia Nguyen (Department of Computer Science and Engineering, University of South Carolina, Columbia, South Carolina 29208, United States)
Steph-Yves V. Louis (Department of Computer Science and Engineering, University of South Carolina, Columbia, South Carolina 29208, United States)
Lai Wei (Department of Computer Science and Engineering, University of South Carolina, Columbia, South Carolina 29208, United States)
Kamal Choudhary (Materials Science and Engineering Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, United States)
Ming Hu (Department of Mechanical Engineering, University of South Carolina, Columbia, South Carolina 29208, United States)
Jianjun Hu (Department of Computer Science and Engineering, University of South Carolina, Columbia, South Carolina 29208, United States)
Date Acquired
February 10, 2024
Publication Date
July 21, 2022
Publication Information
Publication: ACS Omega
Publisher: American Chemical Society (ACS)
Volume: 7
Issue: 30
Issue Publication Date: August 2, 2022
ISSN: 2470-1343
e-ISSN: 2470-1343
DOI: 10.1021/acsomega.2c02765
Funding Number(s)
funding: 70NANB19H117
funding: GEAR-CRP 19-GC02
funding: 521179-RP-SC005
funding: 2110033
funding: DE-SC0020272
funding: 1940099
funding: 1905775
Distribution Limits
Public
Keywords
general chemical engineering
general chemistry

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