Session Details
[A1456-4am]02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry
Fri. Mar 20, 2026 9:20 AM - 11:30 AM JST
Fri. Mar 20, 2026 12:20 AM - 2:30 AM UTC
Fri. Mar 20, 2026 12:20 AM - 2:30 AM UTC
A1456 (1456, Bldg. 14 [5F])
[A1456-4am-01]The ability for a novel crystal structure analysis method via the combination of the three-dimensional Discrete Cosine Transform and the three-dimensional Fourier Transform
○Hideo Hiraguchi1 (1. The Institution of Professional Engineers, Japan)
[A1456-4am-02]Spectral Tuning and Excitation-Energy Transfer Mechanism in the Light-Harvesting Protein Bry-LHCII
○Hiroki Tanabe1, Kazuhiro J Fujimoto1, Jian-Ren Shen2, Takeshi Yanai1 (1. Nagoya university, 2. Okayama university)
[A1456-4am-03]Development of harmonic solvation model based on gaussian charge model and its applications to condensed systems
○Takuya Hashimoto1, Hiromi Nakai1,2 (1. School of Advanced Science and Engineering, Waseda University, 2. Waseda Research Institute for Science and Engineering, Waseda University)
Break
[A1456-4am-04]Study on exciton transfer dynamics in a dipyrrin complex using non-adiabatic molecular dynamics and attachment/detachment density analysis
○Hiroki Uratani1, Hirofumi Sato1,2 (1. Graduate School of Engineering, Kyoto University, 2. Fukui Institute for Fundamental Chemistry, Kyoto University)
[A1456-4am-05]First-principles analysis of the electronic structure and structural stability of the complex alloy phase μ-Al4 Mn
○Yuki Moriya1, Jungwen Yeh1, Masaya Uchida1,2 (1. Saitama Institute of Technology, 2. Advanced Science Research Laboratory)
[A1456-4am-06]Hidden Symmetry in a Simple Hückel Hamiltonian with Accidental Degeneracy
○Tohru Sato1 (1. Kyoto University)