The 87th JSAP Autumn Meeting 2026
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Session Details

Oral presentation18 Informatics : 18.1 Materials Informatics

[9a-N304-1~11]18.1 Materials Informatics

Wed. Sep 9, 2026 9:00 AM - 12:00 PM JST
Wed. Sep 9, 2026 12:00 AM - 3:00 AM UTC
N304 (First Year Education Bld. N Block)
Chair : Ryoji Asahi(Nagoya Univ.), Hirotaka Yonezawa(Matlantis)
This session addresses the development of machine learning interatomic potentials (MLIPs) and their applications. In addition to efforts on constructing new potentials and improving their accuracy, it introduces the latest advances in MLIP-driven materials analysis, including molecular dynamics simulations that elucidate local structures, phase transitions, and mechanisms underlying material properties.
9:00 AM - 9:15 AM JST(12:00 AM - 12:15 AM UTC)

[9a-N304-1]Local Structure and Bond-Order Distribution of Liquid Si Using the Tersoff-NN Potential

〇(DC)Yusuke Nishimura1, Sho Kubota1, Watanabe Takanobu1 (1.Waseda Univ.)
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9:15 AM - 9:30 AM JST(12:15 AM - 12:30 AM UTC)

[9a-N304-2]Assessment of the Hybrid Machine-Learning Potential “Tersoff-NN” for Si Surface Structure

〇(M2)Sho Kubota1, Yusuke Nishimura1, Takanobu Watanabe1 (1.Waseda Univ.)
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9:30 AM - 9:45 AM JST(12:30 AM - 12:45 AM UTC)Presentation by Applicant for JSAP Young Scientists Presentation Award

[9a-N304-3]Prediction of Dielectric Constants of CaTiO3 Using Δ-Learning Model with HSE

〇(M2)Koki Yoshimochi1, Alex Kutana1, Ryosuke Jinnouchi1, Ryouji Asahi1 (1.Nagoya Univ.)
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9:45 AM - 10:00 AM JST(12:45 AM - 1:00 AM UTC)Presentation by Applicant for JSAP Young Scientists Presentation Award

[9a-N304-4]Local Structure Prediction and Charge–Discharge Stability Analysis of Fluoride-Ion Cathode Material SrFeO2Fx

〇(M1)Subaru Shibusawa1, Alex Kutana1, Ryoji Asahi1 (1.Nagoya Univ.)
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10:00 AM - 10:15 AM JST(1:00 AM - 1:15 AM UTC)English Presentation

[9a-N304-5]A Machine Learning Compatible Workflow to Optimize Free Energy Models using Experimental Phase Equilibria Data

〇(P)Wenhao Zhang1, Yusuke Matsuoka1, Taichi Abe1 (1.NIMS)
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10:15 AM - 10:30 AM JST(1:15 AM - 1:30 AM UTC)Presentation by Applicant for JSAP Young Scientists Presentation AwardEnglish Presentation

[9a-N304-6]Electric-Field-Induced Switching Behavior in Antiferroelectric PbZrO3 via Machine Learning Potential Molecular Dynamics

〇ChihLun Hsu1, Ryotaro Sahashi1, Po-Yen Chen1, Teruyasu Mizoguchi1,2 (1.Univ. of Tokyo Eng., 2.Univ. of Tokyo IIS)
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10:45 AM - 11:00 AM JST(1:45 AM - 2:00 AM UTC)

[9a-N304-7][The 60th Young Scientist Presentation Award Speech] Functional Dependence of Machine Learning Force Fields in Electric-Field-Induced Molecular Dynamics of BaTiO3

〇Ryotaro Sahashi1, Po-Yen Chen1, Teruyasu Mizoguchi1,2 (1.Univ. of Tokyo Eng, 2.Univ. of Tokyo IIS)
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11:00 AM - 11:15 AM JST(2:00 AM - 2:15 AM UTC)

[9a-N304-8]Free Energy Analysis of HF Dissociation in Aqueous Solution Using a Machine Learning Interatomic Potential

〇Toshihiro Kume1,2, Rizka Nur Fadilla1, Harry Handoko Halim1, Yoshitada Morikawa1 (1.Osaka Univ., 2.SCREEN)
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11:15 AM - 11:30 AM JST(2:15 AM - 2:30 AM UTC)

[9a-N304-9]Deep Potential molecular dynamics analysis of surface enrichment of boroxol rings in molten B2O3

〇Jun Otsuka1 (1.Sumitomo Electric Industries, Ltd.)
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11:30 AM - 11:45 AM JST(2:30 AM - 2:45 AM UTC)Presentation by Applicant for JSAP Young Scientists Presentation AwardEnglish Presentation

[9a-N304-10]Atom-Resolved Electromechanics of Single-Domain and Domain-Wall Switching in Bilayer Hexagonal Boron Nitride via Deep Learning Potentials

〇Yinan Wang1,2, Poyen Chen1,2, Mizoguchi Teruyasu1 (1.IIS. U-Tokyo, 2.Eng. U-Tokyo)
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11:45 AM - 12:00 PM JST(2:45 AM - 3:00 AM UTC)Presentation by Applicant for JSAP Young Scientists Presentation Award

[9a-N304-11]Structure Screening of Ionic Solid Solutions Using Universal MLIPs

〇(D)Taku Sakai1, Tom Ichibha1, Ryo Maezono2, Kenta Hongo3 (1.JAIST, 2.Science Tokyo, 3.JAIST CASC)
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