CAREER : Theoretical Models for Single Molecule Kinetics and Anharmonic Vibrational Dynamics

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Jianshu Cao of MIT is supported by a CAREER grant from the Theoretical and Computational Chemistry Program to explore the competition of multiple time-scales in single molecule kinetics and model the role of anharmonic molecular couplings in vibrational dynamics. This research is strongly motivated by recent experiments measuring reaction dynamics with single-molecule resolution and on time scales ranging from femtoseconds to seconds. As part of his education plan, Cao will develop a statistical mechanics course for the general student which will include computer-based tutorials, scientific computing, and integration of his own research topics.Advances in optical spectroscopy and microscopy have made it possible to monitor directly the motion of individual molecules at room temperature. Accurate theoretical tools are required to address deviations from classical models now detected by new experiments. To prepare students for these challenging new research directions, effective teaching practices will be coupled with new curriculum development.