US-Germany Cooperative Research: Quantum Dynamical Simulation of Ultrafast Electron Transfer Processes in Condensed Phases

美德合作研究：凝聚相超快电子传递过程的量子动力学模拟

• 批准号: 0231430
• 负责人: Haobin Wang
• 金额: $ 0.65万
• 依托单位: New Mexico State University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2003
• 资助国家: 美国
• 起止时间: 2003-02-01 至 2006-01-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0231430&HistoricalAwards=false
• 关键词: US; Germany; Cooperative; Research; Quantum

0231430WangThis award supports the PI, from New Mexico State University, in a collaboration with Michael Thoss of the Department of Theoretical Chemistry at the Technical University of Munich, Germany. Through the collaboration, the research will develop theoretical methods and computational techniques for studying ultrafast Photo-induced electron transfer reactions in condensed. Specifically, the project aims at development of a self-consistent hybrid method to allow non-perturbative simulations of time-resolved nonlinear spectroscopic signals for dynamical processes in the condensed phase. The collaboration will also make detailed studies of electron transfer dynamics in model systems as well as tests and improvements of commonly used approximation methods and will compare theoretical results with experimental data.The major focus of the work for the current grant period is the integration of the complementary expertise of the German and US PIs in developing the new methodology and applying it to transfer processes in chemical, biological, and material systems. Novel applications of the new method will be carried out to provide rigorous theoretical interpretations of results of experimental femtosecond nonlinear spectroscopy.

0231430 Wang该奖项支持来自新墨西哥州州立大学的PI与德国慕尼黑工业大学理论化学系的Michael Thoss合作。 通过合作，该研究将开发理论方法和计算技术，用于研究凝聚态中的超快光诱导电子转移反应。 具体而言，该项目旨在开发一种自洽混合方法，以允许对凝聚相中动态过程的时间分辨非线性光谱信号进行非微扰模拟。 该合作项目还将对模型系统中的电子转移动力学进行详细研究，并对常用的近似方法进行测试和改进，并将理论结果与实验数据进行比较。目前资助期内的工作重点是整合德国和美国研究人员的互补专业知识，开发新的方法，并将其应用于化学，生物，材料系统。 新的应用程序的新方法将进行严格的理论解释的实验飞秒非线性光谱的结果。