Description: Surface-hopping and vibronic-exciton theoretical methods for simulating two-dimensional electronic spectroscopy, used to explain how vibronic coupling sustains excitonic quantum coherence in photosynthetic light-harvesting complexes and organic semiconductor aggregates.
Kassal is the leading Australian theorist of quantum effects in light harvesting. He established the distinction between coherent processes and coherent states in photosynthesis — showing that under incoherent sunlight at steady state, wavelike motion per se does not enhance efficiency, while environment-assisted transport and supertransfer genuinely can — and has since developed a classification of the mechanisms by which coherence (excitonic, vibrational, or of the light field itself) can improve energy transport. He also pioneered quantum-computer algorithms for chemistry. A distinct and directly relevant thread is the theory of spectroscopy with non-classical light: what entangled or squeezed photons can reveal about molecular coherence that classical light cannot. Positioned against the established body of NV-ensemble quantum sensing work — DEER, nanoscale NMR and T1 relaxometry protocols operating at pT/sqrt(Hz) field sensitivity — his work is the theoretical counterpart to the quantum-biology ambitions of the NV community: where NV ensembles at pT/sqrt(Hz) try to detect the magnetic signatures of biological spin chemistry, Kassal asks what quantum coherence is actually doing in those systems and whether quantum light can interrogate it.
Tempelaar develops theory and simulation methods (surface-hopping and vibronic exciton models) for two-dimensional electronic spectroscopy, explaining how vibronic coupling sustains excitonic coherence in photosynthetic light-harvesting complexes such as the Fenna-Matthews-Olson complex and LH2, and extending these ideas to singlet fission and organic-semiconductor aggregates. He is a faculty affiliate of Northwestern's Institute for Quantum Information Research and Engineering (INQUIRE).