[A1456-2pm] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry | The 106th CSJ Annual Meeting

Advanced Search

Session Details

Academic Program [Oral B]02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry : Oral B

[A1456-2pm]02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Wed. Mar 18, 2026 1:00 PM - 3:30 PM JST
Wed. Mar 18, 2026 4:00 AM - 6:30 AM UTC

A1456 (1456, Bldg. 14 [5F])

1:00 PM - 1:20 PM JST(4:00 AM - 4:20 AM UTC)Japanese

[A1456-2pm-01]Molecular Dynamics Simulations of RNA Stem-Loop Folding Using an Atomistic Force Field and a Generalized Born Implicit Solvent

○Tadashi Ando¹, Ryo Iida¹, Masaki Otoguro¹, Kaito Suzuki¹ (1. Tokyo Univ. of Science)

1:20 PM - 1:40 PM JST(4:20 AM - 4:40 AM UTC)Japanese

[A1456-2pm-02]Analysis of the binding pose of Pirfenidone in the Cytochrome P450 heme

○Mio Takakuwa¹, Yukiumi Kita¹, Tomomi Shimazaki¹, Masanori Tachikawa¹ (1. Yokohama City University)

1:40 PM - 2:00 PM JST(4:40 AM - 5:00 AM UTC)Japanese

[A1456-2pm-03]PFP/MM: A Hybrid of a Universal Machine Learning Interatomic Potential and a Classical Force Field for Large-Scale Reactive Simulations

○Yu Miyazaki¹, Atsuhiro Tomita¹, Akihide Hayashi¹, Mizuki Takemoto¹, Hodaka Mori¹ (1. Preferred Networks, Inc.)

2:00 PM - 2:10 PM JST(5:00 AM - 5:10 AM UTC)

Break

2:10 PM - 2:30 PM JST(5:10 AM - 5:30 AM UTC)Japanese

[A1456-2pm-04]Development of Fluctuation-assisted Molecular Dynamics for Accelerated Sampling of Chemical Reactions

○Sei Tsukamura¹, Yoshifumi Nishimura², Hiromi Nakai^1,2 (1. Grad. Sch. Adv. Sci. Eng., Waseda Univ., 2. WISE, Waseda Univ.)

2:30 PM - 2:50 PM JST(5:30 AM - 5:50 AM UTC)Japanese

[A1456-2pm-05]Theoretical research for thermodynamical stability of nanoparticle morphology

○Yusuke NANBA¹ (1. Koyto University)

2:50 PM - 3:10 PM JST(5:50 AM - 6:10 AM UTC)Japanese

[A1456-2pm-06]Molecular simulation combining Maxwell's equations and semiclassical electron force field model for laser ablation of a silicon thin film

○Atsushi Yamada¹ (1. National Defense Academy)

3:10 PM - 3:30 PM JST(6:10 AM - 6:30 AM UTC)Japanese

[A1456-2pm-07]Classically simulatable variational quantum solver

○Takeshi Sato¹, Haifeng Lang¹, Naoki Furukawa¹, Kenichi L Ishikawa¹, Tanvi Gujarati², Mario Motta², Antonio Mezzacapo², Yukio Kawashima² (1. The Univ. of Tokyo, 2. IBM Quantum)

Back to Category List