8th Japan-Thai workshop on Theoretical and Computational Chemistry 2023

January 19th, 2024 in Kanazawa-Hakkei Campus of Yokohama City University

Recovering from the pandemic, the international exchange reboots. We hold this workshop in Kanazawa-Hakkei Campus of Yokohama City University on January 19th, 2024. We will have oral presentations by invited speakers form Japan, Thailand and Canada. We look forward to productive discussions.

Registration

Thank you for your applications!

Program

Friday, January 19th 13:00–17:20, 2024
Room 118, Science Research Building (1F), Yokohama City University

Opening Remarks

Start End  
13:00 13:10 Opening remarks
by Prof. Masaru Tachibana (Yokohama City University, Japan)
13:10 13:20 Opening remarks
by Prof. Masanori Tachikawa (Yokohama City University, Japan)
13:20 13:30 Photo Session (10 min.)

Session 1

Chair: Seiji Mori (Ibaraki University, Japan)

Start End  
13:30 14:00 Siriporn Jungsuttiwong (Ubon Ratchathani University, Thailand)
Advances and Challenges in DFT-based Design of Energy Materials for Climate Change Mitigation
14:00 14:30 Manussada Ratanasak (Hokkaido University, Japan)
Elucidating the Chemoselective Transesterification Mechanism of Novel Mg(II) and Na(I) Bisphenoxide Catalysts for Industrial Applications
14:30 14:50 Break (20 min.)

Session 2

Chair: Yusuke Kanematsu (Hiroshima University, Japan)

Start End  
14:50 15:20 Robert Karoly Szilagyi (The University of British Columbia, Canada)
Computational assessment of hydrolysis and condensation reactions as key chemical transformations for the Emergence of Biosphere
15:20 15:50 Kowit Hengphasatporn (University of Tsukuba, Japan)
Unlocking Antiviral Insights: FMO, Docking, MD Illuminate Halogen Interactions in Drug Design
15:50 16:10 Break (20 min.)

Session 3

Chair: Robert Karoly Szilagyi (The University of British Columbia, Canada)

Start End  
16:10 16:40 Rathawat Daengngern (King Mongkut’s Institute of Technology Ladkrabang, Thailand)
Theoretical insights into ultrafast excited state proton transfer coupled with twisted intramolecular charge transfer of bifunctional derivatives of pyridine
16:40 17:10 Yusuke Kanematsu (Hiroshima University, Japan)
Theoretical analysis of P450nor by using the quantum chemical calculation and database analysis.

Closing Remarks

Start End  
17:10 17:20 Closing remarks
by Prof. Masanori Tachikawa (Yokohama City University, Japan)
18:30   Meeting to exchange opinions

Access

Kanazawa-Hakkei Campus of Yokohama City University is a 5-minutes walk from Kanazawa-Hakkei Station of Keikyu line.

Organizers

Quantum Physical Chemistry Laboratory, Yokohama City University

Acknowledgment

TBA