[22p-52A-1~17] 23.1 Joint Session N "Informatics"

1:30 PM - 1:45 PM JST(4:30 AM - 4:45 AM UTC)

[22p-52A-3] Development of Organic Semiconductor using Large-Scale Quantum Chemical Calculations and Material Descriptors based on the Wave Functions

Nana Komoto¹, 〇Shinya Nishino¹, Takeo Hoshi² (1.Sumicomo Chemical, 2.NIFS)

Keywords:

Materials Informatics,Organic Semiconductor,quantum chemical simulations

Materials Informatics(MI) has rapidly developed and has accelerated R&D of materials. In this presentation, we will report on the effectiveness of the scheme that integrates data generation through large-scale simulations and machine learning for the development of organic semiconductor.