Organic polaritonics has emerged as a captivating interdisciplinary field that marries the
complexities of organic photophysics with the fundamental principles of quantum optics. By …

Experimental studies indicate that optical cavities can affect chemical reactions through
either vibrational or electronic strong coupling and the quantized cavity modes. However …

We demonstrate that collective vibrational strong coupling of molecules in thermal
equilibrium can give rise to significant local electronic polarizations in the thermodynamic …

Recent experiments demonstrate polaritons under the vibrational strong coupling (VSC)
regime can modify chemical reactivity. Here, we present a complete theory of VSC-modified …

Recent experiments have revealed the profound effect of strong light–matter interactions in
optical cavities on the electronic ground state of molecular systems. This phenomenon …

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) …

Quantum-electrodynamical density-functional theory (QEDFT) provides a promising avenue
for exploring complex light-matter interactions in optical cavities for real materials. Similar to …

Recent experiments in polariton chemistry have demonstrated that reaction rates can be
modified by vibrational strong coupling to an optical cavity mode. Importantly, this …

We applied a variety of mixed quantum-classical (MQC) approaches to simulate the VSC-
influenced reaction rate constant. All of these MQC simulations treat the key vibrational …

We present numerically exact quantum dynamics simulations using the hierarchical
equation of motion approach to investigate the resonance enhancement of chemical …