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Theoretical advances in polariton chemistry and molecular cavity quantum electrodynamics
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 …
polaritons, are formed due to quantum light–matter interactions. With the experimental …
Swinging between shine and shadow: Theoretical advances on thermally activated vibropolaritonic chemistry
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 …
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
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) …
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
Polariton chemistry may provide a new means to control molecular reactivity, permitting
remote, reversible modification of reaction energetics, kinetics, and product yields. A …
remote, reversible modification of reaction energetics, kinetics, and product yields. A …
Collective polaritonic effects on chemical dynamics suppressed by disorder
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 …
(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
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 …
transitions, may provide a new route to guide chemical reactions. However, demonstrations …
Resonance theory of vibrational polariton chemistry at the normal incidence
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 …
(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
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 …
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 …
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
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 …
energy transfer, and many other physical properties of the coupled system. This is achieved …