Theoretical advances in polariton chemistry and molecular cavity quantum electrodynamics

A Mandal, MAD Taylor, BM Weight… - Chemical …, 2023 - ACS Publications
When molecules are coupled to an optical cavity, new light–matter hybrid states, so-called
polaritons, are formed due to quantum light–matter interactions. With the experimental …

Swinging between shine and shadow: Theoretical advances on thermally activated vibropolaritonic chemistry

JA Campos-Gonzalez-Angulo, YR Poh, M Du… - The Journal of …, 2023 - pubs.aip.org
Polariton chemistry has emerged as an appealing branch of synthetic chemistry that
promises mode selectivity and a cleaner approach to kinetic control. Of particular interest are …

Investigating the collective nature of cavity-modified chemical kinetics under vibrational strong coupling

LP Lindoy, A Mandal, DR Reichman - Nanophotonics, 2024 - degruyter.com
In this paper, we develop quantum dynamical methods capable of treating the dynamics of
chemically reacting systems in an optical cavity in the vibrationally strong-coupling (VSC) …

Ultrafast dynamics of CN radical reactions with chloroform solvent under vibrational strong coupling

AP Fidler, L Chen, AM McKillop… - The Journal of Chemical …, 2023 - pubs.aip.org
Polariton chemistry may provide a new means to control molecular reactivity, permitting
remote, reversible modification of reaction energetics, kinetics, and product yields. A …

Collective polaritonic effects on chemical dynamics suppressed by disorder

JB Pérez-Sánchez, F Mellini, J Yuen-Zhou… - Physical Review …, 2024 - APS
We present a powerful formalism, disordered collective dynamics using truncated equations
(d-CUT-E), to simulate the ultrafast quantum dynamics of molecular polaritons in the …

Exploring the impact of vibrational cavity coupling strength on ultrafast CN + c-C6H12 reaction dynamics

L Chen, AP Fidler, AM McKillop, ML Weichman - Nanophotonics, 2024 - degruyter.com
Molecular polaritons, hybrid light-matter states resulting from strong cavity coupling of optical
transitions, may provide a new route to guide chemical reactions. However, demonstrations …

Resonance theory of vibrational polariton chemistry at the normal incidence

W Ying, MAD Taylor, P Huo - Nanophotonics, 2024 - degruyter.com
We present a theory that explains the resonance effect of the vibrational strong coupling
(VSC) modified reaction rate constant at the normal incidence of a Fabry–Pérot (FP) cavity …

Phase space perspective on a model for isomerization in an optical cavity

S Mondal, S Keshavamurthy - The Journal of Chemical Physics, 2023 - pubs.aip.org
Explanation for the modification of rates and mechanism of reactions carried out in optical
cavities still eludes us. Several studies indicate that the cavity-mediated changes in the …

Semiclassical truncated-Wigner-approximation theory of molecular vibration-polariton dynamics in optical cavities

NT Phuc - Journal of Chemical Theory and Computation, 2024 - ACS Publications
It has been experimentally demonstrated that molecular-vibration polaritons formed by
strong coupling of a molecular vibration to an infrared cavity mode can significantly modify …

Understanding the Nature of Vibro‐Polaritonic States in Water and Heavy Water

A Kadyan, MP Suresh, B Johns, J George - ChemPhysChem, 2024 - Wiley Online Library
Very recent experiments on vibrational strong coupling tend to modify chemical reactivity,
energy transfer, and many other physical properties of the coupled system. This is achieved …