Presidential Young Investigator Award: Quantum Theoretical Treatment of Chemical Dynamics in Condensed Phase Systems

格雷戈里·A·沃斯博士在理论和计算化学项目中得到了总统青年研究人员的资助，负责对凝聚体系中的化学动力学进行理论研究。沃斯的研究涉及分析和计算机模拟技术的发展，主要目标是形成描述感兴趣的化学动力学问题的预测数学理论。这项研究的一个主要目的是对激活速率过程进行一般描述，例如凝聚相中的化学反应，这些过程仔细地处理量子效应以及反应子系统和凝聚相环境之间的特定微观相互作用。这项研究的第二个目标是发展一种激光辐射烧蚀聚合物表面的理论。这项总统青年研究人员奖的研究将为从分子水平理解影响溶液中化学反应的因素提供重要的理论见解。

Dr. Gregory A. Voth is supported by a Presidential Young Investigator Grant in the Theoretical and Computational Chemistry Program to perform theoretical studies of chemical dynamics in condensed systems. Voth's research involves the development of both analytical and computer simulation techniques with the primary goal of formulating predictive mathematical theories which characterize chemical dynamical problems of interest. One major thrust of the research is to formulate a general description of activated rate processes such as chemical reactions in condensed phases that carefully treat quantum effects as well as the specific microscopic interactions between reactive subsystems and the condensed phase enviroment. A second thurst of the research is to develop a theory for the ablation of polymer surfaces by laser radiation. %%% Research under this Presidential Young Investigator award will provide important theoretical insights into the molecular level understanding of the factors which affect chemical reactions in solutions.