Research

We are developing a new class of stochastic quantum dynamics methods that allow for formally exact simulations with O(1) — i.e. size-invariant — scaling with the number of molecules. When materials absorb light, the resulting excited state is often delocalized across several molecules; as a result, controlling where the energy moves and what chemistry it drives requires navigating the complex interplay of the electronic coupling and the vibrational motion. By extending quantum dynamics algorithms to simulate state-of-the-art spectroscopic measurements in molecular materials, we can provide mechanistic insight into how excitations and charge move through new classes of materials and guide material design to control energy and charge transport on the 100 nm length scale. 

Bioenergetics

We are developing integrative biophysical models of photosynthetic light harvesting to engineer plants and algae for agricultural and industrial applications. Plants are evolutionarily optimized for competitive environments, but modern agricultural fields are designed to minimize competition between crops. Redesigning the photosynthetic apparatus may allow for improved crop yields and algal bio-factories for chemical synthesis; however, modifying the biological components of a regulated network, such as photosynthesis, often results in off-target effects. By incorporating data from structural biology, biochemistry, and spectroscopy, we aim to provide a holistic view of regulatory processes necessary for plant growth in natural environments and guide the development of new mechanistic hypotheses for improving biomass yields.