BEGIN:VCALENDAR VERSION:2.0 PRODID:-//jEvents 2.0 for Joomla//EN CALSCALE:GREGORIAN METHOD:PUBLISH BEGIN:VEVENT UID:069cb1d418b41c0dcb54a4420e2da3af CATEGORIES:Colloquium CREATED:20220119T161400 SUMMARY:Professor Pengfei (Frank) Huo, University of Rochester DESCRIPTION:Investigating New Reactivities Enabled by Polariton Chemistry\nThe quantum light-matter interactions between the molecule and the quantized radiation mode inside an optical cavity create a set of hybridized electronic-photoni c states, so-called polaritons, opening up new possibilities to control che mical reactions by exploiting intrinsic quantum behaviors of light-matter i nteractions.\nIn this talk, I'll present our recent investigations on new c hemical reactivities enabled by cavity quantum electrodynamics and demonstr ate detailed mechanisms of how quantized light-matter interactions can chan ge the outcomes of chemical reactions. \nFirst, we demonstrate that the sel ectivity of a model photo-isomerization reaction can be controlled by tunin g the photon frequency of the cavity mode, providing new ways to manipulate chemical reactions via light-matter interaction. We further investigate co llective quantum effects enabled by coupling quantized radiation mode to mu ltiple molecules. \nSecond, I will present the fundamental theoretical fram ework for molecular cavity quantum electrodynamics by resolving the gauge a mbiguities between the Coulomb gauge and the dipole gauge Hamiltonians unde r the electronic state truncation. We resolve this ambiguity by constructin g a unitary transformation operator that properly constrains all light-matt er interaction terms in the same subspace.\nFinally, I will present a theor etical explanation of the cavity modification of the ground state reactivit y in the vibrational strong coupling (VSC) regime in polariton chemistry. O ur theoretical results suggest that the VSC kinetics modification is origin ated from the non-Markovian dynamics of the cavity radiation mode that coup les to the molecule, leading to the dynamical caging effect of the reaction coordinate and the suppression of reaction rate constant for a specific ra nge of photon frequency close to the barrier frequency. \n\n \nHosted by Pr ofessor Rick Remsing\nHybrid seminar: On-site location is CCB-1303; for Zoo m meeting information, please contact Loretta Lupo @ (mailto:lal275@chem.r utgers.edu)This email address is being protected from spambots. You need Ja vaScript enabled to view it.\n X-ALT-DESC;FMTTYPE=text/html:
Investigating New Reactivit ies Enabled by Polariton Chemistry
The quantum light-matter interactions between the molecule and the quan tized radiation mode inside an optical cavity create a set of hybridized el ectronic-photonic states, so-called polaritons, opening up new possibilitie s to control chemical reactions by exploiting intrinsic quantum behaviors o f light-matter interactions.
In this tal k, I'll present our recent investigations on new chemical reactivities enab led by cavity quantum electrodynamics and demonstrate detailed mechanisms o f how quantized light-matter interactions can change the outcomes of chemic al reactions.
First, we demonstrat e that the selectivity of a model photo-isomerization reaction can be contr olled by tuning the photon frequency of the cavity mode, providing new ways to manipulate chemical reactions via light-matter interaction. We further investigate collective quantum effects enabled by coupling quantized radiat ion mode to multiple molecules.
Se cond, I will present the fundamental theoretical framework for molecular ca vity quantum electrodynamics by resolving the gauge ambiguities between the Coulomb gauge and the dipole gauge Hamiltonians under the electronic state truncation. We resolve this ambiguity by constructing a unitary transforma tion operator that properly constrains all light-matter interaction terms i n the same subspace.
Finally, I will pre sent a theoretical explanation of the cavity modification of the ground sta te reactivity in the vibrational strong coupling (VSC) regime in polariton chemistry. Our theoretical results suggest that the VSC kinetics modificati on is originated from the non-Markovian dynamics of the cavity radiation mo de that couples to the molecule, leading to the dynamical caging effect of the reaction coordinate and the suppression of reaction rate constant for a specific range of photon frequency close to the barrier frequency. p>
Hosted by Professor Rick Rems ing
Hybrid seminar: On-site location is CCB-1303; fo
r Zoom meeting information, please contact Loretta Lupo @