Locating and controlling energy transport in proteins, clusters and nanoporous materials

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David Leitner of the University of Nevada, Reno is supported by an award from the Theoretical and Computational Chemistry program to develop and apply computational methods to locate pathways for energy transport in proteins, clusters and nanoporous materials. By identifying networks of channels for energy flow in proteins, nanoporous materials, and clusters, the Leitner group examines their role 1) steps involved in an allosteric transition; 2)thermal transport on the nanoscale; and 3) kinetics of conformational change. This research brings together principles developed in a range of disciplines, including biophysical, materials and theoretical physical chemistry. It addresses important computational problems involving proteins, glasses, nanoporous materials and clusters, including development and application of methods to study thermal properties of materials used in small integrated circuits, where progress has potential economic impact