Our research centers on developing & applying theoretical & simulation methods to investigate the quantum dynamics of condensed phase systems & straddles the boundaries between physical chemistry, condensed matter physics, & quantum information. In particular, we develop & apply methods to:
Reaction dynamics at electrochemical interfaces
Elucidate mechanisms of electrochemical reactions at novel interfaces by constructing methods to simulate proton & electron transfer dynamics at electrochemical interfaces & the spectroscopies that probe these processes.
Decoherence & simulation in quantum devices
Characterize & exploit decoherence in near-term quantum computers by developing approaches to uncover the physical origin of noise in quantum devices & exploit photonic processors with low decoherence to test algorithms to calculate the coupled dynamics of electrons and nuclei.
Spectroscopy of molecular materials & nanomaterials
Simulate & decode spectral signatures of relaxation processes in (molecular & nano) materials by introducing theories to simulate & interpret the linear & nonlinear spectroscopies of these systems that report on energy & charge transfer.
We address these challenges by creating theoretical methods that exploit the hierarchy of time- and length-scales inherent in these condensed phase processes to shed light on the wealth of data in cutting-edge experiments that now provide access to unparalleled time- & energy-resolution & offer an extraordinary & timely opportunity to vet & advance theory. We aim to provide physically transparent models that offer a physically intuitive understanding of the fundamental physics of these chemical processes to enable us to understand & manipulate the physical properties of materials, including charge transfer properties, optical responses, & robustness to noise.