[Aspuru-Guzik group list] Barry Dunietz Seminar TODAY 4pm

Dear all, Please join us for the theochem seminar: TODAY 4pm MIT 24-121 Barry Dunietz University of Michigan Exploring Conductance Switching Properties of Molecular Scale Devices - A Computational Approach. A computational approach is used and developed to study electron transport through molecular and nano scale devices. New models and methods to study time-dependent aspects of electron conductance are implemented to study quantum interference effects affecting the conductance. We will also describe several studies on molecular scale systems where switching properties have been observed experimentally. Several recent high-profile experimental studies achieving molecular scale conductance are considered. Our studies provide both insight into the mechanisms underlying the electronic-transport switching activity and predictions useful for designing novel schemes to enhance the switching functionality. -- Leslie Vogt Aspuru-Guzik Group Chemistry and Chemical Biology Harvard University