MRM2023/IUMRS-ICA2023

Presentation information

Poster Session

A. Fundamentals » [A-5] Advanced Algorithms and Tools for Materials Informatics

[A5-P501] Poster 501

Fri. Dec 15, 2023 10:00 AM - 12:00 PM Poster (Annex)

[A5-P501-16] QSGW calculations for thousands of materials to predict accurate band gaps

*Shota Takano1, Katsuhiro Suzuki1, Kazunori Sato1,2,3, Takao Kotani2,4 (1. Osaka Univ. (Japan), 2. CSRN, Osaka Univ. (Japan), 3. OTRI, Osaka Univ. (Japan), 4. Tottori Univ. (Japan))

Keywords:First-principles calculations, Quasiparticle self-consistent GW, Band gap, Machine learning, Linearly independent descriptor generation

Please log in with your participant account.
» Participant Log In