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