Coherent Control and Coherence Spectroscopies in Complex Systems

西北大学的塔马尔·塞德曼得到了理论和计算化学项目以及国际科学和工程办公室与柏林自由大学的莱蒂西亚·冈萨雷斯合作进行研究和教育的支持。这些研究人员将结合先进的电子结构计算和量子动力学模拟，以及最近发展起来的耗散环境中的最优控制理论，探索使用相干控制工具来洞察复杂分子系统结构和动力学的可能性。这些复杂的系统包括生物大分子和耦合到耗散环境的分子。第二个相关的目标是探索受耗散影响的复杂系统的相干光的可控性。第三个目标是开发一种现实的模型，描述当前实验中以及生物学或技术上感兴趣的一些特定系统的光控制动力学。这些系统包括(1)在绿色植物和趋化细菌中发现的光敏色素感光发色团，这是目前实验感兴趣的系统，以及(2)过度拥挤的烯烃，它们表现出空间诱导的手性。一个长期的目标将是利用将要开发的方法和具体的系统细节来数值设计基于生物模拟的功能分子装置。国际研究协作的协同性质要求伙伴在不同理论部分的专门知识密切互动。参加培训的学生将在伙伴国家提供的丰富的文化和科学机会内，在电子结构、反应动力学和光-物质相互作用等互补领域接受培训。本课程将深入了解与一般化学有关的系统，以及潜在的生化和生物仿生相关问题。

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.