[18p-B01-1~9] New material science and its practical application created by informatics

[18p-B01-2] [JSAP Paper Award Speech] Systematic Theoretical Prediction of Semiconductor Properties and Data-Driven Materials Exploration

〇Fumiyasu Oba^1,2 (1.Tokyo Tech, 2.NIMS)

Keywords:first-principles calculation, semiconductor, lattice defect

In this talk, I will discuss our computational approach to the prediction of fundamental and defect properties of semiconductors and its application to the design of doping, elucidation of defect structures, and search for novel materials.