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

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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.