Theory of coherent control of photochemical reaction dynamics at conical intersections, with applications to biomolecules

• Applicant: Professor Dr. Wolfgang Domcke
• Subject Area: Theoretical Chemistry: Electronic Structure, Dynamics, Simulation
• Term: from 2004 to 2007
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 5431510

The aim of this German-Japanese collaboration project is the development of the theory and the computational tools for the investigation of the laser control of explicity nonadiabatic ultrafast dynamics at conical intersections of potential-energy surfaces. The German group contributes its experience with the ab initio exploration of conical intersections, the construction of multi-dimensional potential-energy surfaces, and multi-dimensional quantum wave-packet dynamics. The contribution of the Japanese group is its profound knowledge of optimal control theory. We wish to explore with comutational methods the possibility of laser control of ultrafast reactions which play an important role in photobiology, such as hydrogen- detachment and hydrogentransfer reactions in amino acids and DNA bases which are driven by repulsive 1ps* excited states and their conical intersections with 1pp* and S0 states. We expect to be able to provide guiding principles for the design of future laser control experiments on photchemical reactions in biomolecules.

• DFG Programme: Research Grants
• International Connection: Japan
• Participating Person: Professor Yuichi Fujimura