[B4] Oral B4 | The 40th Annual Meeting of the Molecular Simulation Society of Japan

Advanced Search

Session Details

口頭発表

[B4]Oral B4

Mon. Dec 7, 2026 1:00 PM - 2:10 PM JST
Mon. Dec 7, 2026 4:00 AM - 5:10 AM UTC

Parallel B (Hall 1, 2)

1:00 PM - 1:25 PM JST(4:00 AM - 4:25 AM UTC)

[B-109L]From Quantum Computing to Molecular Dynamics with Machine-Learning Interatomic Potentials

○Tuan Minh Do¹, Yuichiro Yoshida¹, Tomoya Shiota¹, Kenji Ishihara¹, Wataru Mizukami¹ (1. The University of Osaka)

1:25 PM - 1:40 PM JST(4:25 AM - 4:40 AM UTC)

[B-110S]Using AI Workflows to train Machine Learned Potentials for Studying Hydrogen in bulk Zirconia Dioxide

○Bo Thomsen¹, Motoyuki Shiga¹ (1. Japan Atomic Energy Agency)

1:40 PM - 1:55 PM JST(4:40 AM - 4:55 AM UTC)

[B-111S]From Chelation Cage to Loose Anchor How Fluoroalkyl Substitution Tunes Li+ Diffusion in Ether Functionalized Imide Anions.

○Dhileep Nagi Reddy Thummuru¹, Tsuzuki Seiji², Sudoh Taku², ueno kazuhide², Shinoda Wataru¹ (1. Okayama University, 2. Yokohama National University)

1:55 PM - 2:10 PM JST(4:55 AM - 5:10 AM UTC)

[B-112S]Optimized Constraint Implementations for GPU-Accelerated Molecular Dynamics

○Jaewoon Jung Jung^1,2, Diego Ugarte La Torre^1,3, Chigusa Kobayashi¹, Katsuhisa Ozaki⁴, Yuji Sugita^1,2,3 (1. RIKEN R-CCS, 2. RIKEN PRI, 3. University of Tokyo, 4. Shibaura Institute of Technology)

Back to Category List