Approaching coupled-cluster accuracy for molecular electronic structures with multi-task learning (preprint)
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ML_electronic.pdf
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3.55 MB
Format
Adobe PDF
Checksum (MD5)
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Author(s)
Tang, Hao
Xiao, Brian
He, Wenhao
Subasic, Pero
Harutyunyan, Avetik R.
Wang, Yao
Liu, Fang
Xu, Haowei
Li, Ju
Date Issued
December 27, 2024
Journal
Nature Computational Science
Publisher
Springer Science and Business Media LLC
Citation
Tang, Hao, Xiao, Brian, He, Wenhao, Subasic, Pero, Harutyunyan, Avetik R. et al. 2024. "Approaching coupled-cluster accuracy for molecular electronic structures with multi-task learning (preprint)." Nature Computational Science.
Version
Author's final manuscript
MIT Department
Massachusetts Institute of Technology. Department of Materials Science and Engineering
Massachusetts Institute of Technology. Department of Physics
Massachusetts Institute of Technology. Center for Computational Science and Engineering
Massachusetts Institute of Technology. Department of Nuclear Science and Engineering
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Creative Commons Attribution-Noncommercial-Share Alike
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DOI of Published Version
https://doi.org/10.1038/s43588-024-00747-9
