Research

1. Mathematical manipulations, molecular quantum mechanical simulation and interpretation of interstellar  infrared emission spectra.
2. Theoretical insight into the new astrochemistry hypothesis of mixed  aromatic/aliphatic organic nano-particles (MAON): Molecular structures  and simulation of infrared emission spectra.
3. Analysis and classification of molecular vibrational motions within born-Oppenheimer approximations
4. Applications of Neural Networks and similarity approaches in modern interpretation of Infrared Spectra.
5. Understanding the fundamental concepts in QTAIM and their relationships to the traditionally widely used chemical concepts.
6. Application of electron density analysis in designing new nonlinear optical active materials.

Collaborations

1. Astrochemistry of solar system objects. (In collaboration with Dr. Chih Hau Hsia and Prof. Yong Zhang)
2. Developing the computer code to study the fine structure of rotation-vibration spectra in diatomic molecules. (In collaboration with Dr. Shant Shahbazian and Prof. Kirk A.Peterson)
3. Exploring the relativistic effects on QTAIM metal-metal bonding descriptors. (In collaboration with Prof. Ian.P.Hamilton, Prof. Cherif Matta and Prof. Kirk A.Peterson)
4. Optimization of the performance of current computational chemistry codes used in HKU. (In collaboration with HKU-ITS high performance computing team)