Laboratory for Chemical Computation and Modeling (Lab CCM)

The Laboratory for Chemical Computation and Modeling (Lab CCM) was established in October 2022 as one of the founding research divisions of the Institute for Computational Science and Artificial Intelligence (COSARI) of the Van Lang University.

Introduction

It aims to attract talented and dedicated researchers and students and pursue collaborative efforts to carry out innovative research work in the field of computational molecular and materials sciences. We endeavour to emerge as a division of excellence in the field both regionally and internationally.

Mission & Vision

Mission

The mission of Lab AIM is to conduct topical research in the field of applied and industrial mathematics, to advance knowledge and develop new techniques and tools that can be applied to real-world pr

Vision

We use the methods directly derived from the basic postulates of quantum mechanics ranging from high accuracy molecular orbital methods (such as coupled-cluster theory, multi-configuration perturbatio

Research Interests

We have interest in the theoretical study of a variety of classes of chemical compounds ranging from small molecules in the gas phase (related to processes in the atmosphere, interstellar media and origin of life), atomic clusters (with applications in catalysis, sensor and medicine), organic and organo-metallic compounds (with applications in cancer treatment), biochemical processes (in various diseases), solid polymers and crystals (with applications in semiconductors, opto-electronic devices, solar cells, metal ion batteries)… We pay a particular attention to the chemical bonding and fundamental concepts governing their molecular and electronic structures as well as their properties. We carry out computations on both experimentally accessible materials and model systems. For the former, much of our computational work is performed in collaboration with pertinent experimental groups and we enjoy much from such close interactions.