Automation of First-Principles Point Defect Calculations for Non-Metallic Materials

Presentation information

Oral Session

D. Frontiers of Advanced Electronic Materials » [D-3] Defect Functionalized Energy and Electronic Materials

Thu. Dec 16, 2021 1:30 PM - 3:30 PM Room M (G312+313)

Chair: Tomofumi Tada (Kyushu University), Peter Sushko (Pacific Northwest National Laboratory)

2:45 PM - 3:00 PM

*Yu Kumagai¹, Akira Takahashi¹, Fumiyasu Oba¹ (1. Tokyo Institute of Technology (Japan))

Keywords:First-principles calculations, Point defects, High-throughput calculations

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