[19p-PB8-1~32] 12.4 Organic light-emitting devices and organic transistors

[19p-PB8-23] Searching High-Performance Organic Semiconductors in Tthe Cambridge Structural Database

〇Tomoharu Okada¹, Hiroyuki Matsui¹ (1.ROEL, Yamagata Univ.)

Keywords:organic semiconductor, data science, quantum chemical calculation

Conventional development of organic semiconductor materials has required a great deal of time and cost. On the other hand, materials informatics using calculations and data science is paid attention nowadays owing to the development of quantum chemical calculation and the increasing databases related to various materials. In this study, we search the Cambridge Structural Database for high-performance organic semiconductor materials whose crystalline structure had been known but whose performance as a semiconductor had been unknown.