Excited state processes in condensed phase: dephasing, dissipation, light harvesting and photochemistry

凝聚相中的激发态过程：移相、耗散、光捕获和光化学

• 批准号: 0911625
• 负责人: David Coker
• 金额: $ 40.5万
• 依托单位: Trustees of Boston University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2009
• 资助国家: 美国
• 起止时间: 2009-07-01 至 2012-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0911625&HistoricalAwards=false
• 关键词: Excited; state; processes; condensed; phase

David Coker of Boston University is supported by an award from the Theoretical and Computational Chemistry program to study excited state dynamics in condensed phase systems. Using the iterative linear approach to coherent propagation of reduced density matrices, the PI and his research group are 1) modeling exciton dynamics in multi-chromophore light harvesting systems, 2) exploring vibrational dephasing and relaxation of molecules in driven environments and 3) studying mixed quantum-classical subsystems embedded in larger multi-scale environments. In collaboration with experimentalists, they are also studying the efficacy of excited state proton transfer for activating organic molecules.This research has the potential for broad impact in several areas of scientific and societal importance including solar energy technology, quantum information science and highly selective organic synthesis.

波士顿大学的大卫·科克（David Coker）获得了理论和计算化学项目的奖项支持，研究凝聚相系统的激发态动力学。利用约化密度矩阵相干传播的迭代线性方法，PI和他的研究小组正在1）模拟多生色团光捕获系统中的激子动力学，2）探索驱动环境中分子的振动退相和弛豫，3）研究嵌入更大多尺度环境中的混合量子经典子系统。他们亦与实验学家合作，研究激发态质子转移活化有机分子的效能，这项研究对多个科学及社会重要范畴，包括太阳能技术、量子资讯科学及高选择性有机合成等，具有广泛的影响力。