[[C]C302-3pm1] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry | The 105th CSJ Annual Meeting

Advanced Search

Session Details

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

[[C]C302-3pm1]02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Fri. Mar 28, 2025 1:00 PM - 1:50 PM JST
Fri. Mar 28, 2025 4:00 AM - 4:50 AM UTC

[C]C302(C302, Bldg. 2, Area 2 [3F])

1:00 PM - 1:10 PM JST(4:00 AM - 4:10 AM UTC)Japanese

[[C]C302-3pm1-01]Analysis on excited-state considering the dissolution state of a fluorescent probe in a lipid membrane bilayer

○Ryo Okabe¹, Yuya Matsubara¹, Kento Kasahara¹, Nobuyuki Matubayasi¹ (1. Osaka Univ.)

1:10 PM - 1:20 PM JST(4:10 AM - 4:20 AM UTC)Japanese

[[C]C302-3pm1-02]Nonadiabatic molecular dynamics method for elucidating the photoreaction mechanisms of complex systems: Incorporation of the DFTB/SSR method

○Hirotaka Kato¹, Manabu Kanno², Fuminori Misaizu², Hirohiko Kono² (1. Faculty of Science, Tohoku Univ., 2. Graduate School of Science, Tohoku Univ.)

1:20 PM - 1:30 PM JST(4:20 AM - 4:30 AM UTC)Japanese

[[C]C302-3pm1-03]Verification of Efficient Coefficient Optimization Methods for the Automatic Derivation of Chemical Laws

○Yuyuha Tamae¹, Masahiko Nakano², Yuya Nakajima², Junji Seino^1,2 (1. Waseda Advanced Science and Engineering, 2. Waseda Research Institute for Science and Engineering)

1:30 PM - 1:40 PM JST(4:30 AM - 4:40 AM UTC)Japanese

[[C]C302-3pm1-04]Automatic generation of reaction networks for coordination self-assembly systems

○Keisuke Takeuchi¹, Shuichi Hiraoka¹ (1. The University of Tokyo)

1:40 PM - 1:50 PM JST(4:40 AM - 4:50 AM UTC)Japanese

[[C]C302-3pm1-05]Electronic structure of palladium oxide using ab initio DFT+U+V method

○Akihisa Ishikawa¹ (1. Kyoto Universtity)

Back to Category List