Theoretical Studies of Spectroscopy, Relaxation and Energy Transfer in Condensed Matter Molecular Systems

马萨诸塞州理工学院的Robert Silbey教授得到理论和计算化学项目的支持，对凝聚态分子系统中的光谱、弛豫和能量转移进行理论研究。 他正在扩展多级系统的四波混频光谱理论。这样的分析使人们能够解开微观分子过程，否则，当同时探测大量无序分子的光谱时，这些过程会被平均化。 Silbey的方法同时考虑了波动的环境效应和入射光引起的扰动。应用包括光捕获复合物，其他多发色团系统，和单量子nanocrystalls.The理解生物相关分子中的能量转移的能力是许多生物化学应用所必需的，包括绿色催化，能量存储和受控光解。 用普通的光谱方法观察和控制这些过程是困难的，因为分子是无序的，而且实验探针本身可能改变分子的标准性质。 Silbey设计了一种理论方法，它允许人们有效地推断单个分子的性质和过程。 同样的技术被认为对量子计算应用具有重要意义，因为它可以直接探测量子点的状态。 该奖项将支持两名研究生和一半的博士后学生在赠款过程中的教育。还支持对高中学生和教师的外联活动。

Professor Robert Silbey, of the Massachusetts Institute of Technology, is supported by the Theoretical and Computational Chemistry Program to perform theoretical studies of spectroscopy, relaxation and energy transfer in condensed-matter molecular systems. He is extending theories of four-wave mixing spectroscopy for multilevel systems. Such analyses allow one to unravel microscopic molecular processes, which are otherwise averaged out when spectra of a large number of disordered molecules are simultaneously probed. Silbey's methods account for both fluctuating environmental effects and perturbations due to the incident light. Applications include light harvesting complexes, other multichromophoric systems, and single quantum nanocrystals.The ability to understand energy transfer in biologically relevant molecules is necessary for many biochemical applications, which include green catalysis, energy storage and controlled photolysis. Observation and control of such processes are difficult using ordinary spectroscopic methods because the molecules are disordered and because the experimental probe itself may alter the standard properties of the molecules. Silbey has devised a theoretical means, which allows one to effectively deduce properties and processes in single molecules. The same techniques are thought to be of significance to quantum-computing applications as it enables a means for directly probing the state of a quantum dot. The award will support education of two graduate students and one half of a postdoctoral student during the course of the grant. Outreach activities to high school students and teachers are also supported.