[A1-O301] Oral 301

Wed. Dec 13, 2023 10:00 AM - 12:20 PM Session 5 (Room E)

Chair: Satoshi Itoh (Foundation for Computational Science)

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10:00 AM - 10:40 AM

[A1-O301-01(Symposium Invited)] Intelligent design of electron-rich materials for catalysis and energy applications

*Junjie Wang¹ (1. Northwestern Polytechnical Univ. (China))

10:40 AM - 11:00 AM

[A1-O301-02] Machine learning methods for phase diagrams and their applications

*Ryo Tamura^1,2, Haruhiko Morito³, Guillaume Deffrennes⁴, Yoshitaro Nose⁵, Masanobu Naito¹, Taichi Abe¹, Kei Terayama⁶ (1. NIMS (Japan), 2. Univ. Tokyo (Japan), 3. Tohoku Univ. (Japan), 4. CNRS SIMaP (France), 5. Kyoto Univ. (Japan), 6. Yokohama City Univ. (Japan))

11:00 AM - 11:20 AM

[A1-O301-03] Interpretable machine learning for accelerated discovery of intermediate-temperature proton-conducting oxides

*Yoshihiro Yamazaki¹, Kota Tsujikawa¹, Junji Hyodo¹, Susumu Fujii², Shusuke Kasamatsu³ (1. Kyushu University (Japan), 2. Osaka University (Japan), 3. Yamagata University (Japan))

11:20 AM - 11:40 AM

[A1-O301-04] Graph Neural Networks Based Material Fingerprinting For Machine Learning Driven Thermal Conductivity Prediction Of Ternary Semiconductors

*Yagyank Srivastava¹, Ankit Jain¹ (1. IIT Bombay (India))

11:40 AM - 12:00 PM

[A1-O301-05] Crystal Structure Builder Based on Delaunay Tetrahedral Chemistry

*Yukari Katsura^1,2,3, Yu Takada¹, Tomoya Mato¹, Masaya Kumagai^3,4,5, Haruhiko Morito⁶, Masaya Fujioka⁷, Masakazu Akiyama⁸ (1. National Inst. for Materials Sci. (Japan), 2. Tsukuba Univ. (Japan), 3. RIKEN (Japan), 4. Sakura Internet Inc. (Japan), 5. Kyoto Univ. (Japan), 6. Tohoku Univ. (Japan), 7. National Inst. of Advanced Indus. Sci. and Tech. (Japan), 8. Toyama Univ. (Japan))

12:00 PM - 12:20 PM

[A1-O301-06] Crystal Structure Prediction of Multi-Phase Materials Using Insufficient Diffraction Data

*Yuuki Kubo¹, Ryuhei Sato², Takahiro Ishikawa¹, Shinji Tsuneyuki¹ (1. The Univ. of Tokyo (Japan), 2. Tohoku Univ. (Japan))

Session information