Tamar Seideman of Northwestern University is supported by the Theoretical and Computational Chemistry Program and the Office of International Science and Engineering for research and education in collaboration with Leticia Gonzalez of the Free University of Berlin. These investigators will carry out a combination of advanced electronic structure calculations with quantum dynamics simulations and a recently developed theory of optimal control in dissipative environments, to explore the possibility of using coherent control tools to gain insights into the structure and dynamics of complex molecular systems. The complex systems include large biological molecules and molecules coupled to a dissipative environment. A second, related, goal is to explore the controllability by coherent light of complex systems subject to dissipation. A third goal is to develop a realistic model of the light-controlled dynamics of a number of specific systems of current experimental and either biological or technological interest. These systems include (1) phytochrome photoreceptor chromophore, found in green plants and in chemotropic bacteria, a system of currently experimental interest, and (2) overcrowded alkenes, which exhibit sterically-induced chirality. A long-term objective will be to utilize the methods and specific system details to be developed to numerically design functional molecular devices based on bio-mimicking.
The synergistic nature of the international research collaboration requires close interaction of partner expertise in the different theoretical components. The participating students will be trained in complementary fields of electronic structure, reaction dynamics, and light-matter interaction, within the enriching cultural and scientific opportunities provided by the partner country. Insights will be gained into systems of general chemical interest, as well as potential biochemical and bio-mimicking relevance.
