Design of Molecules with Low Hole and Electron Reorganization Energy Using DFT Calculations and Bayesian Optimization
Author:
Affiliation:
1. Engineering Division, Panasonic Industry Co., Ltd., Kadoma, Osaka 571-8506, Japan
2. Department of Applied Chemistry, School of Science and Technology, Meiji University, 1-1-1 Higashi-Mita, Tama-ku, Kawasaki, Kanagawa 214-8571, Japan
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.2c05229
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