Coupling molecules to the quantized radiation field inside an optical cavity creates a set of
new photon–matter hybrid states called polariton states. We combine electronic structure …

Vibrational strong coupling (VSC) provides a novel means to modify chemical reactions and
energy transfer pathways. To efficiently model chemical dynamics under VSC in the …

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 …

We study the dissociation dynamics of a diatomic molecule, modeled as a Morse oscillator,
coupled to an optical cavity. A marked suppression of the dissociation probability, both …

A model designed to mimic the implications of the collective optical response of molecular
ensembles in optical cavities on molecular vibronic dynamics is investigated. Strong …

Chemical reactions and energy transport phenomena have been experimentally reported to
be significantly affected by strong light–matter interactions and vibrational polariton …

A quantum simulation of vibrational strong coupling (VSC) in the collective regime via
thermostated ring-polymer molecular dynamics (TRPMD) is reported. For a collection of …

The generation of exciton–polaritons through strong light–matter interactions represents an
emerging platform for exploring quantum phenomena. A significant challenge in colloidal …

Equilibrium Fermi's golden rule (FGR) rate constants are commonly used for modeling the
kinetics of electronic energy and charge transfer processes in a wide range of molecular …

The energetic positions of molecular electronic states at molecule/electrode interfaces are
crucial factors for determining the transport and optoelectronic properties of molecular …