Year 2025 Autumn Annual Meeting of JIMM
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Session Details

一般講演11.Computational Science : Computational Science

[G]Computational Science and Data Science

Fri. Sep 19, 2025 1:00 PM - 4:50 PM JST
Fri. Sep 19, 2025 4:00 AM - 7:50 AM UTC
Room L(C308 3rd floor Building C)
座長:毛利　哲夫(北大名誉教授)、澁田 靖(東京大学)、榎木 勝徳(島根大学)
13:00~ 横井 達也
14:25~ 澁田 靖
15:50~ 榎木 勝徳
※表示の講演時間には質疑応答時間も含みます。
（質疑応答時間5分、基調講演と招待講演は5～10分）
1:00 PM - 1:15 PM JST(4:00 AM - 4:15 AM UTC)

[203]Computational science of Twin Deformation Mechanism of α-Ti

*Haruto SHIMOOKA1, Yuto Ito1, Daisuke Egusa1, Masatake Yamaguchi2, Eiji Abe1 (1. Univ. of Tokyo, 2. JAEA)
Comment()
1:15 PM - 1:30 PM JST(4:15 AM - 4:30 AM UTC)

[204]First-principles study of thermal properties in ZrO2

*Kota HASHIMOTO1, Tomonori TANAKA1, Yoshihiro GOHDA1 (1. Dept. Mater. Sci. Eng., Science Tokyo)
Comment()
1:30 PM - 1:45 PM JST(4:30 AM - 4:45 AM UTC)

[205]First-principles derivation of quantitative spin models based on spin-cluster expansion

*Tomonori TANAKA1, Yoshihiro Gohda1 (1. Science Tokyo物質理工学院)
Comment()
1:45 PM - 2:00 PM JST(4:45 AM - 5:00 AM UTC)

[206]Spin-aware machine-learning potential based on local charge density equilibration

*YUXI LIU1, Yasushi Shibuta2, Ryuhei Sato2 (1. The University of Tokyo, School of Engineering (graduate student), 2. The University of Tokyo, School of Engineering)
Comment()
2:00 PM - 2:15 PM JST(5:00 AM - 5:15 AM UTC)

[207]Computational Study of Alloy Anodes Mitigating Polysulfide Corrosion in Lithium–Sulfur Batteries

*Eun-Ae Choi1, Il-Seok Jeong1, Seung　Zeon Han1 (1. Korea Institute of Materials Science)
Comment()
2:15 PM - 2:25 PM JST(5:15 AM - 5:25 AM UTC)

break

2:25 PM - 2:40 PM JST(5:25 AM - 5:40 AM UTC)

[208]Transferability of machine learning interatomic potentials to deformation behavior in nanopolycrystals: grain size effects on the deformation of α-Fe

*Kazuma Ito1, Tatsuya Yokoi2, Katsutoshi Hyodo1, Hideki Mori3 (1. Nippon Steel, 2. Nagoya Univ., 3. Coll. of Ind. Technol.)
Comment()
2:40 PM - 2:55 PM JST(5:40 AM - 5:55 AM UTC)

[209]Computer simulation study of solid solution hardening

*Tetsuo Mohri1 (1. Hokkaido University)
Comment()
2:55 PM - 3:10 PM JST(5:55 AM - 6:10 AM UTC)

[210]Fcc-CDCVM and rotational symmetry of the free energy

*Tetsuo MOHRI1 (1. Hokkaido University)
Comment()
3:10 PM - 3:25 PM JST(6:10 AM - 6:25 AM UTC)

[211]Construction of Theoretical Phase Diagrams using NNP

*Hirokazu Okabe1, Takao Suzuki1,2, Masanori Enoki3, Hiroshi Ohtani4 (1. JX Advanced Metals Corporation, 2. Tohoku Univ., 3. Shimane Univ., 4. Tohoku Univ. NICHe)
Comment()
3:25 PM - 3:40 PM JST(6:25 AM - 6:40 AM UTC)

[212]Phase-field modeling of metastable spinodal decomposition in Fe–C alloy

*Kaichi FUKADA1, Yuhki TSUKADA2, Dasom KIM2, Naoki TAKATA2, Toshiyuki KOYAMA3 (1. Nagoya Univ. Graduate School of Engineering(Master), 2. Nagoya Univ. Graduate School of Engineering, 3. NIMS)
Comment()
3:40 PM - 3:50 PM JST(6:40 AM - 6:50 AM UTC)

break

3:50 PM - 4:05 PM JST(6:50 AM - 7:05 AM UTC)

[213]Benchmarking Expressiveness of Short-Range-Order Metrics

*SiuChung TSANG1, Toshihisa ANAZAWA1, Satoshi MINAMOTO1 (1. NIMS)
Comment()
4:05 PM - 4:20 PM JST(7:05 AM - 7:20 AM UTC)

[214]Electronic Structure Calculation and Machine Learning Prediction: Extension from Cantor-derived High Entropy Alloys (2)

*Ying CHEN1, Nguyen-Dung Tram2, Zimo Li3, Jun Ni3 (1. Tohoku University, 2. Electric Power University (Vietam), 3. Tsinghua University (China))
Comment()
4:20 PM - 4:35 PM JST(7:20 AM - 7:35 AM UTC)

[215]Feature Engineering for Structural Optimization of Cellular Structures Using Voronoi Tessellation and Machine Learning

*Koya OGURA1, Suzuki Asuka2, Kobashi Makoto2 (1. Nagoya university, 2. Nagoya university)
Comment()
4:35 PM - 4:50 PM JST(7:35 AM - 7:50 AM UTC)

[216]A Modular Real-Time Automated Analysis Platform for Operando HVEM Analysis of Nanocatalysts

*Longshu Tang1, Shunsuke Muto1,2 (1. Grad Eng., Nagoya Univ., 2. IMaSS, Nagoya Univ.)
Comment()
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