Coherent control and coherence spectroscopies in complex systems

提出的研究目标之一是探索使用相干控制工具来深入了解复杂分子系统的结构，动力学和功能的可能性，包括大型生物分子和与耗散环境耦合的分子。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可控性。第三个目标是为当前实验和生物或技术兴趣的一些特定系统开发一个光控动力学的现实模型。为了实现上述概述的目标，我们提出了电子结构计算（Berlin）与分子动力学模拟和耗散环境中最近发展的最优控制理论（Evanston）的结合。从长远来看，期望利用通过这里概述的研究开发的方法和特定的系统细节来数值设计基于生物模拟的功能分子器件。

One goal of the proposed research is to explore the possibility of using coherent control tools to gain insight into the structure, dynamics and function of complex molecular Systems, including 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. To achieve the above outlined goals we propose a combination of electronic structure calculations (Berlin) with molecular dynamics simulations and a recently developed theory of optimal control in dissipative environments (Evanston). In the long term is expected to utilize the methods and specific System details to be developed through the research outlined here to numerically design functional molecular devices based on bio-mimicking.