Prof. Xiao Zheng
Theoretical chemical physics, including:
- Development of density functional theory for nanoscopic systems;
- Development of fundamental theory of quantum dissipative dynamic systems, and its numerical methods with various applications;
- Large-scale quantum mechanical simulation of complex molecular systems;
- First-principles method for open systems, and its application to nanoelectronics, photovoltaics, field-emission, and optical responses.
Prof. RuiXue Xu
Theoretical chemical physics, including:
- Dynamics of complex molecular systems;
- Fundamental theory and numerical methods for dynamics of complex systems;
- Quantum statistics, quantum control, quantum information and computation, electron transfer and energy transfer processes, chemical reactions and nonlinear spectroscopy in condensed phases.
Prof. YiJing Yan
Theoretical chemical physics and quantum statistical dynamics, developing theories, models, and computational methods for a wide range of systems:
- Quantum dissipation and many-particle dynamics;
- Long-range charge transfer and quantum transport in complex molecular systems;
- Quantum optics and optical spectroscopy;
- Optimal control of molecular dynamics by light;
- Chemical reaction dynamics in solutions;
- Quantum information and Quantum measurement.