Aleksey Kocherzhenko, Ph.D., University of California, Merced
Exciton models offer an opportunity to simulate the optoelectronic properties of large disordered molecular systems that cannot be adequately described either by ab initio quantum chemical methods or by band theory. Such systems include organic photovoltaic blends, natural and artificial photosynthetic complexes, and organic electro-optic materials. Exciton models are useful for studying a variety of processes including linear and nonlinear optical response, energy transfer, and charge separation. However, the computational efficiency of these models is a direct consequence of approximations that underlie their construction.