Theoretical Chemistry

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Quantum thermodynamics is a fundamental scientific endeavor that aims to consolidate quantum mechanics, nonequilibrium statistical mechanics and thermodynamics, and establish principles for quantum heat machines. The objective of this program is to address fundamental questions and applied challenges in energy management at the nanoscale. We will develop complementary, rigorous theoretical and computational methods that can describe quantum energy flow in complex systems far from equilibrium. We will explore design principles for heat engines and refrigerators utilizing quantum coherent effects, and explore a broad range of applications, including vibrational heat flow in biomolecules and electronic-to-optical energy exchange in hybrid light-matter devices.