[15p-MH-1~7] Innovation Inspired by Informatics in Crystal Growth Processes

[15p-MH-3] Discovery of Novel Nitride Semiconductors via In Silico Screening

〇Fumiyasu Oba^1,2 (1.IIR-LMS and MCES, Tokyo Tech, 2.MI2I, NIMS)

Keywords:first-principles calculations, nitride semiconductors

It is essential to evaluate not only fundamental bulk properties but also lattice defects in materials screening toward the discovery of novel materials. In this talk, I will discuss our computational approach to the prediction of the fundamental and defect properties of semiconductors and its application to the search for novel nitride semiconductors.