Session Details

[P]P178~P184

Tue. Sep 19, 2023 3:00 PM - 4:30 PM JST
Tue. Sep 19, 2023 6:00 AM - 7:30 AM UTC
Hall, 1st Flr. at "TOYAMA Jiyukan " Hall, 1st Flr. at "TOYAMA Jiyukan "
※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)

[P178]Introduction of software development toward data-driven material design

*Kazuyoshi Yoshimi1, Yuichi Motoyama1, Tatsumi Aoyama1, Naoki Kawashima1 (1. ISSP, Univ. of Tokyo)

[P179]Estimation of liquid diffusivity by data assimilation from microsegregation

*Kota OKADA1, Ryo YAMADA2, Munekazu OHNO2 (1. Hokkaido Univ., 2. Hokkaido Univ.)

[P180]First-principles Calculation of Single Elastic Constants of Disordered BCC - alloy

*Kouhei HORIO1, Takeshi TERAMOTO1, Katsushi TANAKA1 (1. Kobe Univ.)

[P181]Prediction of physical properties in molecular dynamics simulations using deep learning models with graph neural networks

*Kota NODA1, Yasushi SHIBUTA2 (1. Univ. Tokyo (Graduate Student), 2. Univ. Tokyo)

[P182]Exploring the Most Stable Structure of Organic Molecule Incorporated in Calcium Phosphate Crystals with DFT Calculations

*Nao SUSAKI1, Tatsuya YOKOI2, Yu OGURA2, Katsuyuki MATSUNAGA2,3 (1. 名大工(院生)、2. 名大工、3. JFCC)

[P183]Electronic structure calculations of AuCuAl alloys by the DV-Xα method

*Akiyoshi Okubo1, Naoki Nohira2, Wan-ting Chiu2, Akira Umise2, Masaki Tahara2, Hideki Hosoda2 (1. Tokyo Tech (Graduate Student), 2. IIR, Tokyo Tech)

[P184]Energy dissipation of edge-dislocation slip in aluminum

*Xiang LI1, Ryo MATSUMOTO1, Hiroshi UTSUNOMIYA1, Shigenobu OGATA1 (1. Osaka University)