In this review, we present the theoretical foundations and first-principles frameworks to
describe quantum matter within quantum electrodynamics (QED) in the low-energy regime …

Molecular polaritons are quasiparticles resulting from the hybridization between molecular
and photonic modes. These composite entities, bearing characteristics inherited from both …

Strong light–matter interaction in cavity environments is emerging as a promising approach
to control chemical reactions in a non-intrusive and efficient manner. The underlying …

Coupling between light and material excitations underlies a wide range of optical
phenomena. Polaritons are eigenstates of a coupled system with a hybridized wave …

Nonadiabatic molecular dynamics (NA-MD) is a powerful tool to model far-from-equilibrium
processes, such as photochemical reactions and charge transport. NA-MD application to …

Polaritonic states arise when a bright optical transition of a molecular ensemble is
resonantly matched to an optical cavity mode frequency. Here, we lay the groundwork to …

Vibrational strong coupling (VSC) occurs when molecular vibrations hybridize with the
modes of an optical cavity, an interaction mediated by vacuum fluctuations. VSC has been …

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) …

Altering chemical reactivity and material structure in confined optical environments is on the
rise, and yet, a conclusive understanding of the microscopic mechanisms remains elusive …

The vibrational strong coupling (VSC) between molecular vibrations and cavity photon
modes has recently emerged as a promising tool for influencing chemical reactivities …