The 87th JSAP Autumn Meeting 2026
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Session Details

Oral presentation18 Informatics : 18.1 Materials Informatics

[10a-N302-1~11]18.1 Materials Informatics

Thu. Sep 10, 2026 9:00 AM - 12:00 PM JST
Thu. Sep 10, 2026 12:00 AM - 3:00 AM UTC
N302 (First Year Education Bld. N Block)
9:00 AM - 9:15 AM JST(12:00 AM - 12:15 AM UTC)English Presentation

[10a-N302-1]Improving Out-of-Distribution Generalization in Property Prediction via Transfer Learning

〇(P)Enda Xiao1, Terumasa Tadano1 (1.NIMS)
9:15 AM - 9:30 AM JST(12:15 AM - 12:30 AM UTC)English Presentation

[10a-N302-2]From Chemical Formula to Crystal Structure: Space-Group Prediction Guides Template Retrieval

〇YenJu Wu1, Yibin Xu1 (1.NIMS)
9:30 AM - 9:45 AM JST(12:30 AM - 12:45 AM UTC)Presentation by Applicant for JSAP Young Scientists Presentation Award

[10a-N302-3]Predicting 3D Atomic Structure with a Generative Model Conditioned on Diffraction/Spectroscopic Measurements

〇Ren Okubo1, Yu Fujikata1, Izumi Takahara1, Teruyasu Mizoguchi1,2 (1.Grad. Sch. of Eng., UTokyo, 2.IIS, UTokyo)
9:45 AM - 10:00 AM JST(12:45 AM - 1:00 AM UTC)Presentation by Applicant for JSAP Young Scientists Presentation Award

[10a-N302-4]Exploration of Novel Switch-Type Fluorescent Molecules Using Molecular Generative AI

〇Yumi Tazuya1, Yoshiharu Mori2, Hisashi Ono3, Mizuki Sugimoto3, Orie Takayama3, Kenjiro Hanaoka3, Kiyoshi Yagi4, Koichiro Kato1,5 (1.Grad. Sch. Eng., Kyushu Univ., 2.Grad. Sch. ISEE., Kyushu Univ., 3.Grad. Sch. Pharm., Keio Univ., 4.Grad. Sch. Pure Appl. Sci., Univ. of Tsukuba, 5.CMS, Kyushu Univ.)
10:00 AM - 10:15 AM JST(1:00 AM - 1:15 AM UTC)

[10a-N302-5]Quantum-Inspired Exploration of Lithium-Ion Battery Cathode Materials Based on Phase-Stability Metrics

〇Kazuhiro Hashiguchi1, Manabu Mizobuchi1, Hideyuki Jippo1, Makoto Saito2, Yoshinori Suga2 (1.Fujitsu Ltd., 2.Toyota Motor Corp.)
10:15 AM - 10:30 AM JST(1:15 AM - 1:30 AM UTC)

[10a-N302-6]Exploring Novel Lithium Peroxide Structures and Evaluating Their Lithium Diffusion Properties

〇Tasuku Sugiura1, Youjeong Choi2, Teruyasu Mizoguchi1,2 (1.IIS, the Univ. of Tokyo, 2.Sch. Eng., the Univ. of Tokyo)
10:45 AM - 11:00 AM JST(1:45 AM - 2:00 AM UTC)

[10a-N302-7]Evolutionary Structure Search for α-SrNCN's High-Pressure Intermediate Phase

〇Yasuhide Iwamoto1, Kazuki Kume2, Kenta Hongo3, Yuji Masubuchi2 (1.JAIST, 2.Hokkaido Univ, 3.JAIST CASC)
11:00 AM - 11:15 AM JST(2:00 AM - 2:15 AM UTC)Presentation by Applicant for JSAP Young Scientists Presentation Award

[10a-N302-8]Hierarchical Simulation and Persistent Homology Analysis of Aggregate Structures in Fuel Cell Catalyst Ink

〇Rei Shibata1, Yoshiharu Mori2, Koichiro Kato1,3 (1.Grad. Sch. Eng., Kyushu Univ, 2.Grad. Sch. ISEE., Kyushu Univ, 3.CMS, Kyushu Univ)
11:15 AM - 11:30 AM JST(2:15 AM - 2:30 AM UTC)

[10a-N302-9]Gradient-Based Inverse Composition Design for Dielectric Material Discovery

〇Daisuke Hirai1, Keitaro Fujii1, Akihiro Fujii2, Anh Khoa Augustin Lu3,2, Satoshi Watanabe2 (1.Murata Manufacturing, 2.Univ. of Tokyo, 3.NIMS)
11:30 AM - 11:45 AM JST(2:30 AM - 2:45 AM UTC)

[10a-N302-10]Prediction of Crystal Density of Organic Semiconductors Using Machine Learning with Nucleus-Independent Chemical Shifts

〇Shota Inoue1, Takuya Seki2, Yudai Shinozaki2, Jun Takeya3,4, Toshihiro Okamoto5, Go Watanabe6 (1.Grad. Sch. of Front. Eng., Kitasato Univ., 2.Grad. Sch. of Sci., Kitasato Univ., 3.Grad. Sch. of Front. Sci., Univ. of Tokyo, 4.NIMS, 5.Sch. of Mater. and Chem. Tech., Science Tokyo, 6.Sch. of Front. Eng., Kitasato Univ.)
11:45 AM - 12:00 PM JST(2:45 AM - 3:00 AM UTC)

[10a-N302-11]First-Principles Study of Phonon Transport in High-Thermal-Conductivity Nitride Materials

〇(M2)Kanau Sakoguchi1, Takao Tsumuraya2, Hashishin Takeshi3 (1.GSST, Kumamoto Univ., 2.MRC, Kumamoto Univ., 3.FAST, Kumamoto Univ.)
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