CAREER: Statistical Theory of Energy Flow and Chemical Reactivity in Polaritonic Materials

With support from the Chemical Theory, Models and Computational Methods program in the Division of Chemistry, Dr. Raphael Florentino Ribeiro of Emory University is developing new theoretical approaches and computational methods for investigating chemical phenomena in microenvironments that confine light and interact strongly with matter. Dr. Ribeiro and his group will computationally investigate the ability of light-confining devices to direct energy transport and chemical reactions in strongly disordered environments. They aim to identify suitable conditions and strategies to achieve maximal control of energy transfer and chemical reaction rate and selectivity in micro- and nanoscale devices. Dr. Ribeiro’s research will be integrated with undergraduate and graduate student mentoring and the development of tutorials for high-school and undergraduate students covering the basics of programming, classical and quantum dynamics, and light-matter interactions. Such interdisciplinary pedagogical materials are designed to reduce the conceptual and practical barrier for initiation of research in computational physical sciences. Raphael Florentino Ribeiro will introduce new models and computational methodologies to investigate energy transport, chemical reactions, and thermodynamics in microcavities hosting strong infrared absorbers. The Ribeiro group will examine various facets of strong light-matter interactions and their impact on molecular properties and transformations with new theoretical models, analytical theory, and large-scale computational simulation. They will deploy stochastic computational methods, mesoscopic localization theory, quantum chaos techniques, and quasi-classical dynamics to identify mechanisms and optimal conditions for controlling energy flow, chemical equilibria, and reactivity with strong light-matter interactions in microcavities. Such models and computational models are in high demand to support and guide experimental studies in quantum information science focused on studying and optimizing reactivity in microcavity environments. This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.