The 11th Japan-Thai workshop on Theoretical and Computational Chemistry 2026 (JTTCC11) was successfully held on April 25, 2026 in an in-person form, at Yokohama City University (Kanazawa-Hakkei Campus), Yokohama, Japan. This workshop aimed to promote international exchange of researchers and students in quantum chemistry between Japan and the Kingdom of Thailand. There were oral and poster sessions. Oral presentations were given by invited speakers, and contributed poster presentations were given by young researchers, especially by graduate students. Thank you very much for your participation.
Registration
This event is a past event. Thank you for your participation.
If you will join the conference mixer (with a light meal and drinks), a participation fee 3,000 JPY will be applied to a non-student participant (student: free).
Resistration as a contributed poster presenter is closed (April 15, 2026).
Online registration is closed (April 24, 2026).
Thank you for your submission.
Program
Saturday, April 25, 2026
Opening Remarks
| Start | End | |
|---|---|---|
| 9:30 | 9:40 | Welcome to YCU by Mitsunori Ikeguchi (Vice president, Professor of Graduate School of Medical Life Science, Yokohama City University, Japan) |
| 9:40 | 9:50 | Welcome to JTTCC11 workshop by Masanori Tachikawa (Dean and Professor of Graduate School of NanoBioScience, Yokohama City University, Japan) |
Oral Session 1
Chair: Yukiumi Kita (Yokohama City University, Japan)
| Start | End | |
|---|---|---|
| 9:50 | 10:15 | Daisuke Yoshida (Tohoku University, Japan) Chemistry with Positrons: Insights from First-Principles Calculations into Positron-Molecule Interactions |
| 10:15 | 10:40 | Tatsuhiro Murakami (Tokyo Metropolitan University, Japan) Reaction Pathway Bifurcation in Molecular Dynamics: A Dynamical View Beyond Static Potential Energy Surfaces |
| 10:40 | 11:00 | Coffee Break (20 min.) |
Oral Session 2
Chair: Masanori Tachikawa (Yokohama City University, Japan)
| Start | End | |
|---|---|---|
| 11:00 | 11:25 | Seiji Mori (Ibaraki University, Japan) Theoretical Studies on Noncovalent Interactions in Homogeneous Catalysis |
| 11:25 | 11:50 | Jun Koseki (AIST, Japan) Computational Analysis of Molecular Structure and Function |
| 11:50 | 12:15 | David S. Rivera Rocabado (Osaka Metropolitan University, Japan) Toward Interpretable Heterogeneous Catalyst Prediction and Design via AI-Driven Density of States Analysis |
| 12:15 | 13:15 | Lunch Break (60 min.) |
Oral Session 3
Chair: Makito Takagi (Yokohama City University, Japan)
| Start | End | |
|---|---|---|
| 13:15 | 13:35 | Kowit Hengphasatporn (University of Tsukuba, Japan) Click, Dock, Discover: Making Computational Drug Discovery Accessible |
| 13:35 | 13:55 | Lian Duan (University of Tsukuba, Japan) A Data-Driven Reaction Path Analysis Framework for Complex Enzymatic Reactions |
| 13:55 | 14:20 | U. Deva Priyakumar (International Institute of Information Technology Hyderabad, India) Chemistry Language Models for Molecule and Material Design |
| 14:20 | 14:40 | Coffee Break (20 min.) |
Oral Session 4
Chair: Kenichiro Saita (Yokohama City University, Japan)
| Start | End | |
|---|---|---|
| 14:40 | 15:00 | Anupama Sharma (University of Tsukuba, Japan) Mechanistic Insights into Carbon Nanotube Dispersion in Ionic Liquids: Role of the Cation |
| 15:00 | 15:25 | Azusa Muraoka (Japan Women’s University, Japan) NEXUS Activities at JWU for Advancing Research on High-Efficiency Photovoltaic Materials and Fostering Women Researchers |
| 15:25 | 15:50 | Kohki Oka (Tohoku University, Japan) Development of Organic Energy Materials |
| 15:50 | 16:10 | Coffee Break (20 min.) |
Oral Session 5
Chair: Tomomi Shimazaki (Yokohama City University, Japan)
| Start | End | |
|---|---|---|
| 16:10 | 16:35 | Yasuteru Shigeta (University of Tsukuba, Japan) Integrated computational chemistry methods for drug discovery and functional analysis of proteins |
| 16:35 | 17:00 | Robert Szilagyi (University of British Columbia, Canada) Chromium Chemistry for Energy Storage in N–H Bonds |
| 17:00 | 17:25 | Nawee Kungwan (Chiang Mai University, Thailand) Single-benzene fluorophores: Compact Near-Infrared dye for biosensing and bioimaging |
Closing Remarks
| Start | End | |
|---|---|---|
| 17:25 | 17:30 | Closing remarks by Masanori Tachikawa (Dean and Professor of Graduate School of NanoBioScience, Yokohama City University, Japan) |
Poster Session & Conference Mixer
| Start | End | |
|---|---|---|
| 17:30 | 18:15 | Poster session 1 (posters with odd numbers) |
| 18:15 | 19:00 | Poster session 2 (posters with even numbers) |
| 19:00 | 21:00 | Conference Mixer |
List of Posters
| Poster No. | |
|---|---|
| P1 | Saho Kobayashi-Kajikawa (Japan Women’s University, Japan) Perovskite Band Gap Prediction Using Explainable Machine Learning with ML-Generated Structural Features |
| P2 | Mebuki Fujitsuka (Gifu University, Japan) Multi-Component Density Functional Theory Study of Deuterium Isotope Effects in Caffeine Metabolism |
| P3 | Hiroaki Oheda (Yokohama City University, Japan) Membrane Protein and Lipid Molecule Co-folding Improves Membrane-Protein Structure Prediction Accuracy |
| P4 | Nao Muramatsu (Japan Women’s University, Japan) First-principles study on the electronic structures of 2D and 2D/3D hybrid organic-inoganic perovskites |
| P5 | Miya Matsuzaki (Japan Women’s University, Japan) Electronic Structure Calculations on n-type Doping of Carbon Nanotubes Using Phosphine and Amine Molecules |
| P6 | Daiki Takaku (Yokohama City University, Japan) Mechanical stability and plasticity of protein crystals through cross-linking |
| P7 | Masanari Natsume (Yokohama City University, Japan) Nuclear quantum effects on the free-energy landscape of the O-H+···π interaction in H3O+···acetylene complex studied by path-integral molecular dynamics simulation |
| P8 | Ken Inoue (Yokohama City University, Japan) Synthesis and Fluorescent Properties of Natural Source Derived Carbon Quantum Dots |
| P9 | Hinano Koizumi (Yokohama City University, Japan) Phase Space Analysis of EEG in Epilepsy Patients and Correlation with Clinical Status |
| P10 | Kie Araki (Japan Women’s University, Japan) Molecular Dynamics Study of Ligand Recognition in the Taste Receptor T1r2a–T1r3 |
| P11 | Yachen Zhao (Yokohama City University, Japan) Composition-dependent band gaps of InGaN: Investigating lattice optimization and screened energy corrections |
| P12 | Miu Ashiba (Yokohama City University, Japan) Theoretical Analysis of Positron Binding to Halogenated Hydrocarbons |
| P13 | Ayama Tokuyasu (Yokohama City University, Japan) Direct physical measurement of intracellular dynamics using magnetic tweezers |
| P14 | Kai Travis (Yokohama City University, Japan) Image-based AI toxicity prediction using human hepatocyte spheroids |
Venue
Oral Session
Room 141 (Main conference room), Arts Research Building 1F
Kanazawa-Hakkei Campus, Yokohama City University
Yokohama, Japan
横浜市立大学 (金沢八景キャンパス)
文科系研究棟1階 大会議室
Poster Session & Conference Mixer
Entrance hall (1F), Science Research Building
Kanazawa-Hakkei Campus, Yokohama City University
Yokohama, Japan
横浜市立大学 (金沢八景キャンパス)
理学系研究棟1階 エントランスホール
Access
Kanazawa-Hakkei Campus of Yokohama City University is a 5-minutes walk from Kanazawa-Hakkei Station of Keikyu line.
Local Organizing Committee
Dean and Prof. Masanori TACHIKAWA (Graduate School of Nanobioscience, Yokohama City University) and Quantum Physical Chemistry Laboratory, Yokohama City University.
Acknowledgment
This workshop was organized by the Graduate School of NanoBioScience (Yokohama City University), Graduate School of Medical Life Science (Yokohama City University), Muraoka Group (Japan Women’s University), and NEXUS (JST), sponsored by SPRING program (Yokohama City University) and Grant-in-Aid for Scientific Research(S) (MEXT, KAKENHI), and supported by the International Affairs Office (Yokohama City University) and Grant-in-Aid for Transformative Research Areas (A) (MEXT, KAKENHI).
