Accurate Prediction of Excited-State Energies from Molecular Orbital Energies Based on Graph Neural Network with Transfer Learning

Journal:
The Journal of Physical Chemistry Letters
Published:
DOI:
10.1021/acs.jpclett.5c03616
Affiliations:
3
Authors:
5
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Institutions Authors Share
MOE Key Laboratory for Theoretical and Computational Photochemistry, BNU, China
3.000000
 0.60
Sichuan Normal University, China
1.000000
 0.20
Institute of Artificial Intelligence, Hefei Comprehensive National Science Center, China
1.000000
 0.20
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