Oral presentation

23 Joint Session N "Informatics" » 23.1 Joint Session N "Informatics"

[17p-A401-1~15] 23.1 Joint Session N "Informatics"

Fri. Mar 17, 2023 1:00 PM - 5:15 PM A401 (Building No. 6)

Kentaro Kutsukake(RIKEN), Teruyasu Mizoguchi(U of Tokyo), Shigetaka Tomiya(SONY Corp.)

△：Presentation by Applicant for JSAP Young Scientists Presentation Award
▲：English Presentation
▼：Both of Above
No Mark：None of Above

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1:00 PM - 1:15 PM

[17p-A401-1] Evaluation of Ionic Conductivity in LLZO using Neural Network Potential

〇Takeichiro Nishikawa¹, Takashi Yoshida¹, Hirofumi Horikawa¹, Gen Li¹, Yousuke Isowaki¹, Yasuhiro Harada¹, Yuki Nagai^2,3, Mitsuhiro Itakura² (1.Toshiba R&D Center, 2.Japan Atomic Energy Agency, 3.RIKEN)

1:15 PM - 1:30 PM

[17p-A401-2] Prediction of Ionization Potentials and Electron Affinities of Oxides

〇Shin Kiyohara^1,2, Akira Takahashi¹, Yoyo Hinuma³, Fumiyasu Oba¹ (1.Tokyo Tech, 2.Tohoku Univ., 3.AIST)

1:30 PM - 1:45 PM

[17p-A401-3] Evolutionary Structure Search for High Pressure Phases of Metal Carbodiimide

Peng Song¹, Mari Khawaguch¹, Yuji Masubuchi², Kenji Oqmhula¹, Kousuke Nakano¹, Ryo Maezono¹, 〇Kenta Hongo³ (1.JAIST, 2.Hokkaido Univ., 3.RCACI, JAIST)

1:45 PM - 2:00 PM

△ [17p-A401-4] Development of a machine learning model to predict various bonding species formed on graphene

〇(M1)Kento Nishio¹, Kiyou Shibata^1,2, Mizoguchi Teruyasu^1,2 (1.Sch. Eng., the Univ. of Tokyo, 2.IIS, the Univ. of Tokyo)

2:00 PM - 2:15 PM

[17p-A401-5] Exploring Heat Shielding Nanoparticle Based Materials Focused on Crystal Structure

〇Tomohiro Yoshida¹ (1.Sumitomo Metal Mining)

2:30 PM - 2:45 PM

[17p-A401-6] Feature Engineering of Ceramics Based on Conventional Knowledge in Material Chemistry and Prediction of Dielectric Constant of Paraelectric Materials

〇Noriaki Ozaki¹, Jun Ikeda¹ (1.Murata Mfg.)

2:45 PM - 3:00 PM

[17p-A401-7] Machine-Learning Model of Lattice Dielectric Constants

〇Daisuke Hirai¹, Keitaro Fujii¹, Sakyo Hirose¹ (1.Murata Manufacturing Co., Ltd.)

3:00 PM - 3:15 PM

[17p-A401-8] SHAP analysis on machine-learned model using compositional descriptors

〇Kensei Terashima¹, Pedro Baptista de Castro^1,2, Akiko T. Saito¹, Takafumi D. Yamamoto¹, Ryo Matsumoto¹, Hiroyuki Takeya¹, Yoshihiko Takano^1,2 (1.NIMS, 2.Univ. of Tsukuba)

3:15 PM - 3:30 PM

[17p-A401-9] Neural Structure Fields with Application to Crystal Structure Autoencoders

Naoya Chiba¹, Yuta Suzuki², Tatsunori Taniai¹, 〇Ryo Igarashi¹, Yoshitaka Ushiku¹, Kotaro Saito^3,4, Kanta Ono^2,4,5 (1.OMRON SINIC X, 2.TOYOTA, 3.Randeft, 4.Osaka Univ., 5.KEK)

3:30 PM - 3:45 PM

△ [17p-A401-10] Self-supervised deep metric learning on crystal structures for material concept learning

〇Yuta Suzuki¹, Tatsunori Taniai², Kotaro Saito^3,4, Yoshitaka Ushiku², Kanta Ono^4,5 (1.Toyota Motor Corp., 2.OMRON SINIC X, 3.Randeft Inc., 4.Osaka Univ., 5.KEK)

4:00 PM - 4:15 PM

△ [17p-A401-11] Prediction of optical properties in AI-assisted molecular design system

〇(B)Ren Sasaki¹, Tomoharu Okada¹, Yuki Mochizuki¹, Hiroyuki Matsui¹ (1.ROEL, Yamagata Univ.)

4:15 PM - 4:30 PM

[17p-A401-12] Interpretation of transition temperatures in superconducting data extracted from literature

Kento Mitsui¹, 〇Ryoji Asahi¹ (1.Nagoya Univ.)

4:30 PM - 4:45 PM

[17p-A401-13] Materials Curation® Support System

〇Michiko Yoshitake¹ (1.NIMS)

4:45 PM - 5:00 PM

▲ [17p-A401-14] Discussing domain adaptation in TDM: from superconductors to large magnets research

〇Luca Foppiano¹, Masashi Ishii¹ (1.MDBG, NIMS)

5:00 PM - 5:15 PM

[17p-A401-15] Extract the optimum process conditions for thin-film synthesis from scientific literature

〇Shigeru Kobayashi¹, Norikazu Kuwashiro², Fumiaki Itoh², Dai Sakurai², Taro Hitosugi^1,3 (1.Tokyo Tech, 2.NAGASE & CO.,LTD, 3.Univ. Tokyo)

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