[A204-4am] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[A204-4am-14] Design of low reorientation energy molecules using DFT calculations and machine learning

^○Norihisa Yamamoto¹, Tatuhito Ando², Naoto Shimizu¹, Nobuyuki Matsuzawa², Hiroyuki Maeshima², Hiromasa Kaneko¹ (1. Meiji University, 2. Panasonic Corporation)

[Lang.] Japanese

Keywords:Semiconductor, Reorganization energy, Density functional theory, Bayesian optimization, Machine learning