Recovering from the pandemic, the international exchange reboots. We hold this workshop in Kanazawa-Hakkei Campus of Yokohama City University on January 20th, 2024. We will have oral presentations by students and invited speakers from Japan, Thailand, Indonesia and Canada. We hope the strong interaction between participants from various countries.
Registration
Thank you for your applications!
Program
Friday, January 20th 9:00–17:20, 2024
Y204, YCU Square (2F), Yokohama City University
Opening Remarks
| Start | End | |
|---|---|---|
| 9:00 | 9:05 | Opening remarks by Prof. Masanori Tachikawa (Yokohama City University, Japan) |
Session 1
Chair: Osamu Kobayashi (Yokohama City University, Japan)
| Start | End | |
|---|---|---|
| 9:05 | 9:20 | IWQC_OP01 Jessica Valentina Zarama Buritica (The University of British Columbia, Canada) A Combined Experimental and Computational Study to Explore the Electronic Structure of CNx and its building blocks |
| 9:20 | 9:30 | IWQC_OP02 Chatnicha Hongthong (King Mongkut’s Institute of Technology Ladkrabang, Thailand) Theoretical investigations of the heteroatom and substituent effects on photophysical properties of thioanisole and its derivatives |
| 9:30 | 9:40 | IWQC_OP03 Wutthana Inporn (King Mongkut’s Institute of Technology Ladkrabang, Thailand) Substituting effect to excited-state intramolecular proton transfer reactions of 1,8-di(pyridin-2-yl)-9H-carbazole and its derivatives: A Dynamics Simulation |
| 9:40 | 9:50 | IWQC_OP04 Monruedee Meerawan (Ubon Ratchathani University, Thailand) A THEORETICAL STUDY FOCUSING ON THE DESIGN AND DEVELOPMENT OF EFFICIENT PHOTOCATALYSTS FOR WATER-SPLITTING FOR HYDROGEN |
| 9:50 | 10:05 | IWQC_OP05 Shuhei Ohno (Yokohama City University, Japan) Electron Localization in Vibrational Excited HD⁺ |
| 10:05 | 10:25 | Coffee Break & Photo Session (20 min.) |
Session 2
Chair: Makito Takagi (Yokohama City University, Japan)
| Start | End | |
|---|---|---|
| 10:25 | 10:40 | IWQC_OP06 Pimjai Pimbaotham (Ubon Ratchathani University, Thailand) Enhanced Formic Acid Production through Catalytic CO2 Hydrogenation on Frustrated Lewis Pair Functionalized UiO-67 |
| 10:40 | 10:50 | IWQC_OP07 Wassana Mongkonkan (Ubon Ratchathani University, Thailand) THE EFFECT OF NON-METAL DOPED GRAPHITIC CARBON NITRIDE FOR CARBON DIOXIDE REDUCTION REACTION: A DFT STUDY |
| 10:50 | 11:00 | IWQC_OP08 Rie Yoshimoto (Ibaraki University, Japan) Theoretical Investigations of Palladium-Catalyzed [3+2] Annulation via Benzylic and meta C−H Bond Activation |
| 11:00 | 11:15 | IWQC_OP09 Hafiz Aji Aziz (King Mongkut’s Institute of Technology Ladkrabang, Thailand) Investigation into the mechanism of catalytic hydrodesulfurization of dimethyl sulfide over W3O6 cluster using Density Functional Theory |
| 11:15 | 11:30 | IWQC_OP10 Hiroki Sakagami (Yokohama City University, Japan) Development of combined plane wave and localized basis sets method toward the analysis of H/D isotope effect on CH₄/CD₄ adsorption on metal surface |
Lunch Break (90 min.)
Lunch boxes will be prepared in Room 108. Room 118 will be booked for students.
Opening Remarks for 21st Anniversary Symposium of Quantum Physical Chemistry Lab.
| Start | End | |
|---|---|---|
| 13:00 | 13:45 | Congratulatory address (& self-introduction of all the members) by Prof. Takayoshi Ishimoto (Hiroshima University, Japan) |
Session 4
Chair: Takayoshi Ishimoto (Hiroshima University, Japan)
| Start | End | |
|---|---|---|
| 13:45 | 14:15 | IWQC_OP11 Taro Udagawa (Gifu University, Japan) TBA |
| 14:15 | 14:40 | Photo Session & Coffee Break (35 min.) |
Session 5
Chair: Yukiumi Kita (Yokohama City University, Japan)
| Start | End | |
|---|---|---|
| 14:50 | 15:05 | Takako Mashiko (KYOCERA Corp.) |
| 15:05 | 15:20 | Kiriko Ishii (TOKYO OHKA KOGYO CO., LTD.) |
| 15:20 | 15:35 | IWQC_OP12 Daisuke Yoshida (RIKEN, Japan) THEORETICAL STUDIES ON POSITRON BINDING PROPERTIES IN MOLECULAR CLUSTERS |
Chair: Kazuaki Kuwahata (Yokohama City University, Japan)
| Start | End | |
|---|---|---|
| 15:35 | 15:45 | Aiko Hayashi(Io) (Nissan Chemical Corp.) |
| 15:45 | 15:55 | Yudai Ogata (NTT DATA Inc.) |
| 15:55 | 16:05 | Kaito Dohi (Tech Fun Corp.) |
| 16:05 | 16:40 | Photo Session & Coffee Break (35 min.) |
Session 6
Chair: Albert Iskandarov (Yokohama City University, Japan)
| Start | End | |
|---|---|---|
| 16:40 | 17:10 | IWQC_OP13 Rivera Rocabado David Samuel (Hiroshima University, Japan) TBA |
Chair: Tomomi Shimazaki (Yokohama City University, Japan)
| Start | End | |
|---|---|---|
| 17:10 | 17:40 | IWQC_OP14 Seiji Mori (Ibaraki University, Japan) Importance of noncovalent interactions in proteins |
| 17:40 | 17:50 | Yuki Oba(Sayo) (ENEOS Corp.) |
Closing Remarks
| Start | End | |
|---|---|---|
| 17:50 | 18:00 | Closing remarks by Prof. Masanori Tachikawa (Yokohama City University, Japan) |
※ Reception will be held at 2F Seagull Center, Yokohama City University from 18:30.
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