Ultraslow Dynamics and Ultrafast Spectroscopy in Liquids, with Connections to Thermodynamics

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Thomas Keyes of Boston University is supported by an award from the Theoretical and Computational Chemistry Program to continue his studies of dynamics in glass forming liquids. Two areas of research are being carried out; the first involves the development of a potential energy landscape view of ultraslow dynamics in glassy materials; the second involves the development of theories for ultrafast nonlinear spectroscopy in liquids. Previous NSF fundeing for research in Keyes' lab focused on the development of a method involving instantaneous normal modes (INM). The current project goes beyond that, extending the work to other potential energy landscape (PEL)-based approaches. Keyes is using a "comprehensive theory" approach to the study of glass forming liquids which requires little or no simulation.This work is expected to have a broader impact, in addition to graduate training, primarily through its impact on our understanding of complex matter. This will result in improvements in both materials science research and our understanding of the molecular basis of the biological sciences.