Our research focuses primarily on organic materials that combine light-absorbing and electrically conducting components in a single package. We develop and apply computational strategies rooted in quantum mechanics to understand the self-assembly and electronic properties of these materials. We are also interested in predictive models of photostability: how long will an organic dye integrated into a device operate before it is photodamaged? We are developing a simulation framework based on density functional tight binding which will allow us to identify and control key degradation pathways.
