Research Interests and Collaborations

1. Theoretical insight into the new astrochemistry hypothesis of mixed aromatic/aliphatic organic nano-particles (MAON): Molecular structures and simulation of infrared emission spectra.
2. Analysis and classification of molecular vibrational motions within born-Oppenheimer approximations.
3. 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
4. Applications of Neural Networks in Infrared Spectroscopy.
   In collaboration with Professor GuanHua Chen Group (http://yangtze.hku.hk/home/)
5. 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
6. Understanding the fundamental concepts in QTAIM and their relationships to the traditionally widely used chemical concepts.
7. Application of electron density analysis in designing new nonlinear optical active materials.
8. Optimization of the performance of current computational chemistry codes used in HKU.
   In collaboration with HKU-ITS high performance computing team