| Index |
Speaker |
Affliation |
Title |
| Keynote Presentation |
|
1
|
Professor
Y.Z. Zheng
|
Xi'an Jiaotong University - Xi'an, China
|
Rare Earth-Nickel Cluster Complexes for Photo-catalytic CO2 Reduction
|
|
2
|
Professor
Hue Minh Thi Nguyen
|
Hanoi National University of Education, Vietnam
|
Computational Approaches to the Study of Reaction Mechanisms, Catalytic/Luminescent Materials and Biotarget Inhibitor Screening
|
| Invited Presentation |
|
1
|
Professor
Takashiro Akitsu
|
Faculty of Science, Tokyo University of Science, Japan
|
Physical Meaning of Parameters from Conventional Frameworks and DFT
|
|
2
|
Professor
Debasis Koley
|
Computational Chemistry and Molecular Modelling (CCMM) Lab, Department of Chemical Sciences, Indian Institute of Science Education and Research (IISER) Kolkata, Mohanpur – 741 246, India
|
Copper catalyzed oxidative coupling reactions: A computational perspective
|
|
3
|
Professor
Saurabh Kumar Singh
|
Department of Chemistry, Indian Institute of Technology Hyderabad, Kandi, Sangareddy, Telangana, India
|
Computational designing of highly anisotropic lanthanide-based magnetic molecules and their integration in 2D and 3D networks
|
| Oral Presentation |
|
1
|
Professor
Kuduva R. Vignesh
|
Department of Chemical Sciences, IISER Mohali, SAS Nagar, Punjab, India
|
Single-molecule magnetic and Single-molecule toroic behavior of 3d-4f complexes
|
|
2
|
Professor
Quan Manh Phung
|
Department of Chemistry and Institute of Transformative Bio-Molecules (WPI-ITbM), Nagoya University, Chikusa, Nagoya 464-8602, Japan
|
Selective Methane-to-Methanol Conversion in Cu–CHA: Challenging the Radical Mechanism with High-Level Theory
|
|
3
|
Vic Austen
|
Graduate School of Science, Nagoya University, Japan
|
Hydrogen atom transfer reaction by iron-oxo complexes: a DMRG-CASPT2 Study
|
| Poster Presentation |
|
1
|
Amit Gharu
|
Department of Chemical Sciences, IISER Mohali, SAS Nagar, Punjab, India
|
Single-molecule magnetic and Single-molecule toroic behavior of 3d-4f complexes
|
|
2
|
Nguyen Phuong Duy
|
Faculty of Chemistry and Center for Computational Science, Hanoi National University of Education, Hanoi, Viet Nam
|
On the steroids extracted from soft corals against the NS3/4A protease of hepatitis C virus
|
|
3
|
Dr.
Phan Thi Thuy
|
Department of Chemistry, Vinh University, 182 Le Duan, Vinh City, Nghean 43000, Vietnam
|
Exploring the Potential of B12C12, B12N12, C12N12, and Al12N12 Nanocages as Talazoparib Carriers Using Density Functional Theory
|
|
4
|
Nguyen Minh Phuong
|
Faculty of Chemistry and Center for Computational Science, Hanoi National University of Education, Hanoi, Viet Nam
|
Insights from quantum chemical investigations of BODIPY derivatives as metal-free photosensitizers
|
|
5
|
Mr. Nguyen Van Hue
|
Faculty of Chemistry and Center for Computational Science, Hanoi National University of Education, Hanoi, Viet Nam
|
Virtual screening of Potential AChE Inhibitors: Predictive modelling by machine learning, molecular docking and molecular dynamics simulation
|
|
6
|
Professor
Ngo Tuan Cuong
|
Faculty of Chemistry and Center for Computational Science, Hanoi National University of Education, Hanoi, Viet Nam
|
DFT Study on the catalytic activity of [η2-2-allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-кC1)chlorido(pyridine-кN)platinum(II)] for a hydrosilylation reaction
|
|
7
|
Professor
Nguyen Thi Thuy Duong
|
Faculty of Chemistry and Center for Computational Science, Hanoi National University of Education, Hanoi, Viet Nam
|
Single silver atom supported by a small silver cluster in FAU-X zeolite b-cage as catalyst for the CO oxidation
|
|
8
|
Dr.
Vu Thi Huong Giang
|
Faculty of Chemistry and Center for Computational Science, Hanoi National University of Education, Hanoi, Viet Nam
|
A theoretical study of the oxidation of benzene by manganese oxide clusters: formation of quinone intermediates
|