| Time | Activity | Person in Charge / Notes |
|---|---|---|
| 15:00 - 17:00 |
Registration
|
Organizing Committee |
| Time | Activity | Person in Charge / Notes |
|---|---|---|
|
Opening Session
|
||
| 06:30 - 07:30 |
Registration and Reception
|
Organizing Committee |
| 07:30 - 07:40 |
Opening announcement and introduction
|
MC |
| 07:40 - 07:50 |
Welcome speech
|
Assoc. Prof. Dr. Vo Thanh Tung Rector, HUSC |
| 07:50 - 08:20 |
Introductory Remarks
|
Nguyen Minh Tho |
|
Morning Session 1
|
Chair: Nguyen Thi Ai Nhung | |
| 08:20 - 09:00 |
Invited 1
Directing Chemical Reactions with Electric Fields
View PDF
|
Michelle Coote Flinders University, Australia |
| 09:00 - 09:20 |
Talk 1
Molecular Insights into HER2 Inhibition via Machine Learning and MD Simulations
View PDF
|
Do Thi Mai Dung Faculty of Pharmaceutical Chemistry and Technology, Hanoi University of Pharmacy |
| 09:20 - 09:50 |
Group photo and Coffee break
|
Organizing Committee |
|
Morning Session 2
|
Chair: Nguyen Thi Minh Hue | |
| 09:50 - 10:10 |
Talk 2
Solvation effects on protein folding: Insights from simple models
View PDF
|
Trinh Xuan Hoang Institute of Theoretical Physics, Vietnam Academy of Science and Technology |
| 10:10 - 10:30 |
Talk 3
Machine-Learning Interatomic Potentials for the Simulation of Reaction Pathways
View PDF
|
Nguyen Ngoc Linh Faculty of Materials Science and Engineering, Phenikaa School of Engineering, Phenikaa University |
|
Morning Session 3
|
Chair: Pham-Ho My Phuong | |
| 10:30 - 10:50 |
Talk 4
Anharmonic lattice dynamics and thermal transport in thermoelectric materials: a machine-learning potential approach
View PDF
|
Nguyen Duc Long Simulation in Materials Science Research Group, Science and Technology Advanced Institute, Van Lang University |
| 10:50 - 11:10 |
Talk 5
Dual-Functional Boron and Alane Hydride Platforms for Sustainable Energy
View PDF
|
Trinh Le Huyen Danang University of Technology, University of Danang |
| 11:10 - 12:00 |
Lunch
|
Organizing Committee |
| 12:00 - 13:30 |
Poster Session 1
|
Organizing Committee |
|
Afternoon Session 1
|
Chair: Hoang Khang | |
| 13:30 - 14:10 |
Invited 2
From Quantum Physics (1900) to Quantum Mechanics (1926): a Special Delivery!
|
Joseph Indekeu KU Leuven, Belgium |
| 14:10 - 14:50 |
Invited 3
Current state of quantum computing in computational natural sciences and quantum chemistry
View PDF
|
Stefan Knecht Group Quantum Chemistry Research, Algorithmiq Ltd., Helsinki, Finland |
| 14:50 - 15:10 |
Talk 6
Accurate Prediction of HOMO-LUMO Gaps and Heats of Formation for Polycyclic Aromatic Compounds Using Transfer and Delta Machine Learning Methods With Group equivariant Convolutional Neural Networks
View PDF
|
Nguyen Minh Tri Faculty of Chemical Engineering, Ho Chi Minh City University of Technology - HCMUT |
| 15:10 - 15:30 |
Coffee break
|
Organizing Committee |
|
Afternoon Session 2
|
Chair: Vo Van Quan | |
| 15:30 - 16:10 |
Invited 4
The QUEST Database of Highly-Accurate Excitation Energies and Properties
View PDF
|
Denis Jacquemin Chimie et Interdisciplinarite: Synthese, Analyse, Modelisation. Universite de Nantes, France |
| 16:10 - 16:30 |
Talk 7
Oxidation of metazachlor herbicide by sulfate radical anion in gas and water: Mechanism, kinetics, and toxicity evaluation
View PDF
|
Truong Dinh Hieu Duy Tan University |
| 16:30 - 16:50 |
Talk 8
Decoding the Photophysical Properties and Anomalous Emission Mechanism of Mono- to Tetra-Anils and Boranils
View PDF
|
Nguyen Minh Phuong Center for Computational Science, Hanoi National University of Education |
|
Afternoon Session 3
|
Chair: Nguyen Minh Tam | |
| 16:50 - 17:10 |
Talk 9
A super alkaline earth cluster enables room temperature hydrogen uptake and rapid release
View PDF
|
Long Van Duong Science and Technology Advanced Institute, Van Lang University |
| 17:10 - 17:30 |
Talk 10
Descriptor-Based Insights into Antioxidant Mechanisms and Metal-Induced Photophysical Properties of 5-Hydroxy-1,4-Naphthoquinone Derivatives
View PDF
|
Nguyen Van Gia Bao Da Nang University of Science and Technology |
| 18:30 - 21:30 |
Gala Dinner
|
Organizing Committee |