OPTICS, TRANSPORT AND DEVICES: SOME THEORETICAL MODELING Mark Ratner, Alex Burin, and Geoffrey Hutchison Department of Chemistry and Materials Research Center Northwestern University Evanston, Illinois 60208-3113 ABSTRACT: Work from Tobin Marks’ laboratory has produced a series of striking advances in the preparation, measurement, development and application of molecular strategies for electronic and optical electronic device applications. Several of the key processes (self-assembled electroactive layers, optimized molecular chromophores, tuning of charge flow) require theoretical modeling. This talk will focus on the interaction among formal modeling, numerical calculation, molecular behavior and device performance. Particular topics will include tunable two-photon responses, injection at interfaces, light emitting efficiencies and their control.