Research Interests
Our research group focuses on the development of state-of-the-art quantum chemical models, particularly many-body methods such as perturbation theory and coupled cluster theory. We are among the principal developers of the PSI4 suite of quantum chemical programs. Some of our current projects include:
Methods for computing chiroptical properties, such as optical rotation angles and circular dichroism spectra.
Reduced-scaling approaches for excited states and response properties of large molecules.
Photochemical reactions of radical species.
Efficient implementations of quantum chemical models on modern high-performance computing hardware.