The 103rd CSJ Annual Meeting

Presentation information

Academic Program [Oral B]

02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry » Oral B

[K202-2vn] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Thu. Mar 23, 2023 4:10 PM - 6:50 PM K202 (K202, Lecture Hall Bldg. [2F])

Chair: Takuro Tsutsumi, Yasuteru Shigeta

4:30 PM - 4:50 PM

[K202-2vn-02] Development and Applications of a Method for Designing Functional Molecules Based on Exploration of Chemical Space Accounting for Geometric Stability

Takafumi Shiraogawa1, Hasegawa Jun-ya1 (1. Hokkaido Univ.)

[Lang.] Japanese

Keywords:Design of Functional Molecules, Chemical Space, Quantum Chemistry, Inverse Molecular Design