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Theoretical Chemistry Seminar – Predicting and Controlling Correlated Light-Matter Interactions – Prof. Prineha Narang, Harvard University

Other, Seminars

February 16, 2021 12:00 pm
Where Zoom - To acquire link email nikkie@chem.ucla.edu
Speaker Professor Prineha Narang


Predicting and Controlling Correlated Light-Matter Interactions

Quantum systems host spectacular excited-state effects, but many of these phenomena remain challenging to control and, consequently, technologically under-explored. My research, therefore, focuses on how quantum systems behave, particularly away from equilibrium, and how we can harness these effects1. By creating predictive approaches to study dynamics, decoherence and photo-induced correlations in molecules and matter, our work could enable technologies that are inherently more powerful than their classical counterparts ranging from quantum information science, to ultra-high efficiency optoelectronic and energy conversion systems. In this talk, I will present work from my research group on describing, from first principles approaches, the microscopic dynamics, decoherence and optically-excited collective phenomena at finite temperature to quantitatively link predictions with 3D atomic-scale imaging, quantum spectroscopy, and macroscopic behavior. Capturing these dynamics poses unique theoretical and computational challenges. The simultaneous contribution of processes that occur on many time and length-scales have remained elusive for state-of-the-art calculations and model Hamiltonian approaches alike, necessitating the development of new methods in theoretical and computational quantum chemistry 2–4. I will introduce our work at the intersection of ab initio cavity quantum-electrodynamics and electronic structure methods to treat electrons, photons and phonons on the same quantized footing, accessing new observables in strong light-matter coupling. Building on this, I will show selected examples of our approach in ab initio design of active defects in quantum materials leveraging the chemical degree-of-freedom5–7 towards selectively linking these active defects 8–10. Finally, I will present an outlook on driving quantum chemical systems far out-of-equilibrium to control the coupled electronic and vibrational degrees-of-freedom 11–13.


Professor Prineha Narang

Other, Seminars

School of Engineering and Applied Sciences

Harvard University