Theoretical Studies of Energy Transfer, Relaxation and Single Molecule Spectroscopy

麻省理工学院的罗伯特·西尔贝（Robert Silbey）获得了理论与计算化学项目的奖励，他的研究为凝聚态分子和分子聚集体的光谱研究开发了理论和计算方法。这项工作建立在PI先前的nsf支持的研究基础上。多显色体系的单分子光谱以及这些物质中的能量转移正在被研究。正在研究的系统的例子包括光收集复合物和其他分子聚集体。这项研究既考虑了量子相干效应，也考虑了导致退相干和局域化的静态和动态的无序。这项研究的结果有望对我们对分子电子学、太阳能转换等应用领域的理解产生更广泛的影响。

Robert Silbey of MIT is supported by an award from the Theoretical and Computational Chemistry program for research that is developing theoretical and computational methods for the study of the spectroscopy of molecules and molecular aggregates in the condensed phase. The work builds on the PI's prior NSF-supported research. Single molecule spectroscopy of multi-chromophoric systems is being investigated, along with energy transfer in these same substances. Examples of systems being studied include the light harvesting complexes and other molecular aggregates. The research is taking into account both quantum coherence effects, as well as disorder, both static and dynamic, that leads to decoherence and localization. The results of this research are expected to have a broader impact on our understanding of molecular electronics, solar energy conversion and other application areas.