Session Details
[A1456-1am]02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry
Tue. Mar 17, 2026 9:20 AM - 11:30 AM JST
Tue. Mar 17, 2026 12:20 AM - 2:30 AM UTC
Tue. Mar 17, 2026 12:20 AM - 2:30 AM UTC
A1456 (1456, Bldg. 14 [5F])
[A1456-1am-01]Breakdown of the Born-Oppenheimer approximation by microwave heating
○Makoto Koike1,2 (1. Makoto Koike Microwave Research Institute, 2. Micro Patent Office)
[A1456-1am-02]Configuration Optimization of Site-Mixed Perovskites Using Quantum Annealing
○Ryo Fukasawa1, Toru Asahi1, Takuya Taniguchi2 (1. Graduate School of Advanced Science and Engineering, Waseda University, 2. Center for Data Science, Waseda University)
[A1456-1am-03]Polyethylene adsorption on Cu surfaces studied with random phase approximation and machine-learning potential
○SAMUEL EKA PUTRA PAYONG MASAN1, HARRY HANDOKO HALIM1, YUJI HAMAMOTO2, IKUTARO HAMADA1, YOSHITADA MORIKAWA1 (1. Department of Precision Engineering, Graduate School of Engineering, The University of Osaka, Suita, Osaka 565–0871, Japan, 2. Department of Communication Engineering, Okayama Prefectural University, Soja, Okayama 719–1197, Japan)
Break
[A1456-1am-04]Quantum Monte Carlo Benchmarking and Charge-Transfer Chemistry of Superatomic Al13 Clusters: From Photoionization Energetics to Molecular Complex Formation
○Meliton III Chiong1, Atsushi Nakajima2, Yoshitada Morikawa1 (1. The Univ. of Osaka, 2. Keio Univ.)
[A1456-1am-05]Benchmarking Chemical Cognition: Bridging Statistical Correlation and Chemical Reasoning in Multimodal Molecular Representation
○XIN HU1, Dazhi Zhou1, Kei Terayama2, Masato Sumita3, Koji Tsuda1,3 (1. The university of Tokyo, 2. Yokohama City University, 3. RIKEN Center for Advanced Intelligence Project)
[A1456-1am-06]The Reaction Route Network and Pathways Hidden by Dynamical Effects
○Ryuto Kambara1, Takuro Tsutsumi1, Kenji Furuya2, Tetsuya Taketsugu1 (1. Hokkaido University, 2. Kyushu University)