The Hanna group develops and applies quantum, mixed quantum-classical, and classical methods to understand and control dynamical processes in complex molecular systems. A unifying theme is the decomposition of a system into a quantum subsystem of interest and its classical-like environment, and the study of how this environment shapes the subsystem’s dynamics, transport, and spectroscopy.

Our work spans method development—advancing quantum-classical Liouville and related approaches, open quantum-system simulations, and exciton/charge transport models—as well as applications to problems of technological and fundamental importance. Current research directions include quantum and thermal transport, excitonic quantum batteries, and computational design of functional materials such as phosphonate MOFs for gas separation and energy storage, and phosphonate HOFs for proton conduction and optoelectronics.

Do you want to join us? Feel free to reach out!