Materials Research Meeting 2025 (MRM2025)
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Poster SessionB. Frontiers in Data-Driven Materials Development : [B-3] New development in material researches driven by data, calculation, and AI robot

[B3-P202]Poster 202

Wed. Dec 10, 2025 3:30 PM - 5:30 PM JST
Wed. Dec 10, 2025 6:30 AM - 8:30 AM UTC
Poster(G1+G2)

[B3-P202-01]Design and Development of a Flexible and Scalable Laboratory Orchestration System for Exploring Innovative Materials

*Hailin Wang1, Hatem Elserafy1, Kotoko Hirose1, Sayaka Tanimoto1 (1. Hitachi, Ltd. (Japan))

[B3-P202-02]Evaluation of hydrogen adsorption Energy on iron surface using first-principles calculations for corrosion reaction

*Haruka Sato1,2, Momoji Kubo2, Koji Moriguchi2,3 (1. Nippon Steel Corp. (Japan), 2. Tohoku Univ. (Japan), 3. Nippon Steel Tech. (Japan))

[B3-P202-03]Visualization of Composition-Dependent Morphological Trends and Elucidation of Crystal Growth Behavior in P2-Type Na-Layered Oxides

*Mizuki Kitagawa1, Tetsuya Yamada1, Tipplook Mongkol1, Chokradjaroen Chayanaphat1, Fumitaka Hayashi1, Takeshi Hagio1, Katsuya Teshima1 (1. Shinshu Univ. (Japan))

[B3-P202-04]Development of Crystal Structure Prediction System Using XRD Pattern Descriptors

*Karin Ohnishi1, Tetsuya Yamada1, Tipplook Mongkol1, Chokradjaroen Chayanaphat1, Fumitaka Hayashi1, Takeshi Hagio1, Katsuya Teshima1 (1. Shinshu Univ. (Japan))

[B3-P202-05]Accessible Material Property Prediction Using Large Language Models without Fine-tuning

*Ryoma Yamamoto1, Akira Takahashi1, Kei Terayama2,1, Yu Kumagai3, Fumiyasu Oba1 (1. Inst. of Sci. Tokyo (Japan), 2. Yokohama City Univ. (Japan), 3. Tohoku Univ. (Japan))

[B3-P202-06]Computational Study on Proton/Deuteron Exchange Selectivity in Li2TiO3

*Kohei Nishikawa1, Katsuya Teshima2, Hideki Tanaka2 (1. Graduate School of Sci. and Tech., Shinshu Univ. (Japan), 2. Inst. for Aqua Regeneration, Shinshu Univ. (Japan))

[B3-P202-07]Chemical Bonding Analysis of Binary Nitrides AN (A = Sc, Y, La, Al, Ga, In) Based on Group Theory

*Eiji Miura1, Hiroki Koiso1, Jan Hempelmann1, Toshihiro Isobe1, Akira Nakajima1, Yasuhide Mochizuki1 (1. Inst. of Science Tokyo (Japan))

[B3-P202-08]Prediction of Atomic Displacement Parameters Using Graph Neural Network

*Ko Sato1, Toshihiro Isobe1, Akira Nakajima1, Yasuhide Mochizuki1 (1. Inst. of Science Tokyo (Japan))

[B3-P202-09]Study of silica under pressure with locally averaged atomic fingerprints and unsupervised learning

*Anh Khoa Augustin Lu1,2, Jianbo Lin2, Ryo Tamura2, Satoshi Watanabe1, Tsuyoshi Miyazaki2,3 (1. The Univ. of Tokyo (Japan), 2. National Inst. for Materials Sci. (Japan), 3. Tsukuba Univ. (Japan))

[B3-P202-10]Reconstruction of momentum density by sparse modeling

*Atsumi Kishimoto1, Takato Yajima1, Junya Otsuki2, Akihisa Koizumi3, Naruki Tsuji4, Kazushi Hoshi1, Yuki Furuta1, Kosuke Suzuki1, Masaichiro Mizumaki5, Hiroshi Sakurai1 (1. Gunma Univ. (Japan), 2. Okayama Univ. (Japan), 3. Univ. of Hyogo (Japan), 4. JASRI (Japan), 5. Kumamoto Univ. (Japan))

[B3-P202-11]Capturing mechanism for defects of anti-reflective coating by polymer membranes: atomistic modelling study

*Albert Iskandarov1, Naohiko Ikuma2, Mamoru Hosoya2, Tomomi Shimazaki1, Kouichi Misumi2, Masanori Tachikawa1 (1. Yokohama City Univ. (Japan), 2. Tokyo Ohka Kogyo Co. Ltd. (Japan))

[B3-P202-12]A Universal Data-Driven Model for Battery Degradation Prediction: Achieving High Accuracy through End-to-End Learning

*Kim Inseop1,2, Lee Junhyeong1,3, Han SungWon2, Lee ChanWoo1,4 (1. Korea Institute of Energy Res. (Korea), 2. Korea Univ. (Korea), 3. Hanyang Univ. (Korea), 4. University of Science and Tech. (Korea))

[B3-P202-13]Deep Learning-Based Workflow for Quantitative Analysis of Cathode Particle in SEM images.

*Kim Inseop1,2, Lee Junhyeong1,3, Lee ChanWoo1,4 (1. Korea Institute of Energy Res. (Korea), 2. Korea Univ. (Korea), 3. Hanyang Univ. (Korea), 4. University of Science and Tech. (Korea))

[B3-P202-14]Development of a Novel Solid Catalyst Design StrategyBased on Non-ML Informatics

*Yoshiki Hasukawa1, Fernando Garcia Escobar1, Keisuke Takahashi1, Lauren Takahashi1 (1. Hokkaido Univ. (Japan))
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