Related papers: Molecular polariton dynamics in realistic cavities
Collective light-matter interactions have been used to control chemistry and energy transfer, yet accessible approaches that combine ab initio methodology with large many-body quantum optical systems are missing due to the fast increase in…
Quantum simulation is a promising approach to understand complex strongly correlated many-body systems using relatively simple and tractable systems. Photon-based quantum simulators have great advantages due to the possibility of direct…
Quantum dynamics of the photoisomerization of a single 3,3'-diethyl-2,2'-thiacynine iodide molecule embedded in an optical microcavity was theoretically studied. The molecule was coupled to a single cavity mode via the quantum Rabi…
We assess the cavity molecular dynamics method for the calculation of vibrational polariton spectra, using liquid water as a specific example. We begin by disputing a recent suggestion that nuclear quantum effects may lead to a broadening…
A real-space formalism for density-functional perturbation theory (DFPT) is derived and applied for the computation of harmonic vibrational properties in molecules and solids. The practical implementation using numeric atom-centered…
Engineering strong interactions between optical photons is a great challenge for quantum science. Envisioned applications range from the realization of photonic gates for quantum information processing to synthesis of photonic quantum…
In recent years tremendous progress in the field of light-matter interactions has unveiled that strong coupling to the modes of an optical cavity can alter chemistry even at room temperature. Despite these impressive advances, many…
Understanding condensed-phase polariton experiments requires accurately accounting for both realistic cavity geometries and the interplay between polaritons and material dark modes arising from microscopic molecular interactions. The…
Interest in vibrational polaritonic chemistry, where ground-state chemical kinetics are modified via confined optical modes in a cavity, has surged in recent years. Although models have been developed to understand cavity-modified…
Integrated photonics has been a promising platform for analog quantum simulation of condensed matter phenomena in strongly correlated systems. To that end, we explore the implementation of all-photonic quantum simulators in coupled cavity…
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 the physical properties and chemical reactivity of various…
Polariton condensation is a potential system state for performing analog computations, given that it exhibits quantum behavior at macroscopic scales readily probed with low-cost optical methods. Current methods of fabricating devices in…
In the last decade, much theoretical research has focused on studying the strong coupling between organic molecules (or quantum emitters, in general) and light modes. The description and prediction of polaritonic phenomena emerging in this…
Intramolecular energy transfer driven by near-field effects plays an important role in applications ranging from biophysics and chemistry to nano-optics and quantum communications. Advances in strong light-matter coupling in molecular…
We consider the modes of the electric field of a cavity where there is an embedded polarized dielectric film. The model consists in the Maxwell equations coupled to a Duffing oscillator for the film which we assume infinitely thin. We…
Recent reports suggest that chemical reaction rates can change when reactants are placed inside an optical cavity. These effects have been attributed to the hybridization of molecular vibrational modes with cavity modes into polaritons, but…
Linear spectra of molecular polaritons formed by $N$ molecules coupled to a microcavity photon mode are usually well described by classical linear optics, raising the question of where the expected nonlinear effects in these strongly…
Cavity-polaritons in semiconductor photonic structures have emerged as a test bed for exploring non-equilibrium dynamics of quantum fluids in an integrated solid-state device setting. Several recent experiments demonstrated the potential of…
We introduce a theoretical framework that allows for the systematic and efficient description of the ultrafast nonlinear response of molecular polaritons, i.e., hybrid light-matter states, in the collective regime of large numbers of…
We generalize the quasi-diabatic (QD) propagation scheme to simulate the non-adiabatic polariton dynamics in molecule-cavity hybrid systems. The adiabatic-Fock states, which are the tensor product states of the adiabatic electronic states…