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Despite recent numerical evidence, one of the fundamental theoretical mysteries of polaritonic chemistry is how and if collective strong coupling can induce local changes of the electronic structure to modify chemical properties. Here we…

We have applied path integral simulations, in combination with new ab initio based water potentials, to investigate nuclear quantum effects in liquid water. Because direct ab initio path integral simulations are computationally expensive, a…

Chemical Physics · Physics 2015-04-21 Thomas Spura , Christopher John , Scott Habershon , Thomas D. Kühne

A remote energy transfer pathway from electronic to vibrational degrees of freedom is identified inside an infrared optical cavity under vibrational strong coupling conditions. This mechanism relies on the dynamical Casimir effect, whereby…

Quantum Physics · Physics 2024-03-19 Tao E. Li

The multiphonon quantum dynamics in laser-pumped cavity optomechanical samples containing a vibrating mirror is investigated. Especially, we focus on dispersive interaction regimes where the externally applied coherent field frequency…

Quantum Physics · Physics 2022-03-09 Mihai A. Macovei , Adriana Pálffy

Molecular polaritons are the optical excitations which emerge when molecular transitions interact strongly with confined electromagnetic fields. Increasing interest in the hybrid molecular-photonic materials that host these excitations…

Mesoscale and Nanoscale Physics · Physics 2018-02-26 Raphael F. Ribeiro , Luis A. Martínez-Martínez , Matthew Du , Jorge Campos-Gonzalez-Angulo , Joel Yuen-Zhou

In this work, we present a proof-of-concept investigation of non-equilibrium chemical reaction dynamics at a molecule-electrode interface, driven out of equilibrium by an applied votage bias and mediated by a confined, enhanced vacuum…

Chemical Physics · Physics 2025-12-15 Yaling Ke

Understanding the quantum dynamics of strongly coupled molecule-cavity systems remains a significant challenge in molecular polaritonics. This work develops a comprehensive self-consistent model simulating electromagnetic interactions of…

Chemical Physics · Physics 2025-01-29 Maxim Sukharev , Joseph E. Subotnik , Abraham Nitzan

In the regime of strong coupling between molecular excitons and confined optical modes, the intra-molecular degrees of freedom are profoundly affected, leading to a reduced vibrational dressing of polaritons compared to bare electronically…

Mesoscale and Nanoscale Physics · Physics 2018-10-17 Javier del Pino , Florian A. Y. N. Schröder , Alex W. Chin , Johannes Feist , Francisco J. Garcia-Vidal

Vibrational polaritons form in a planar Fabry-Perot microcavity when a vibrational mode of a layer of molecules is near resonant with an infrared cavity mode. Herein, dispersion relations of vibrational polaritons are studied when the…

Chemical Physics · Physics 2024-06-18 Tao E. Li

We demonstrate a macro-coherent regime in exciton-polariton systems, where nonequilibrium polariton Bose--Einstein condensation coexists with macroscopically occupied vibrational states. Strong exciton-vibration coupling induces an…

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…

Quantum Physics · Physics 2024-11-19 Arghadip Koner , Joel Yuen-Zhou

In the vibrational strong coupling (VSC) regime, molecular vibrations and resonant low-frequency cavity modes form light-matter hybrid states, named vibrational polaritons, with characteristic IR spectroscopic signatures. Here, we introduce…

Chemical Physics · Physics 2025-12-02 Eric W. Fischer , Jan A. Syska , Peter Saalfrank

The interaction of organic molecules and molecular aggregates with electromagnetic fields that are strongly confined inside optical cavities within nanoscale volumes, has allowed the observation of exotic quantum regimes of light-matter…

Quantum Physics · Physics 2018-01-30 Felipe Herrera , Frank C. Spano

Coupling excitons with quantized radiation has been shown to enable coherent ballistic transport at room temperature inside optical cavities. Previous theoretical works employ a simple description of the material, depicting it as a…

Quantum Physics · Physics 2026-05-14 Saeed Rahmanian Koshkaki , Arshath Manjalingal , Logan Blackham , Arkajit Mandal

Strong cavity coupling of gas-phase molecules will enable studies of benchmark chemical processes under strong light-matter interactions with a high level of experimental control and no solvent effects. We recently demonstrated the…

Chemical Physics · Physics 2023-10-26 Adam D. Wright , Jane C. Nelson , Marissa L. Weichman

Controlling the quantum field statistics of confined light is a long-standing goal in integrated photonics. We show that by coupling molecular vibrations with a confined mid-infrared cavity vacuum, the photocount and quadrature field…

Quantum Physics · Physics 2022-02-23 Johan F. Triana , Felipe Herrera

Recent advances in polaritonic chemistry suggest that chemical reactions can be controlled via collective vibrational strong coupling (VSC) in a cavity. In this fully analytical work, we demonstrate that the collective vibrations of a…

Quantum Physics · Physics 2025-04-15 Vasil Rokaj , Ilia Tutunnikov , H. R. Sadeghpour

The way molecules absorb, transfer, and emit light can be modified by coupling them to optical cavities. The extent of the modification is often defined by the cavity-molecule coupling strength, which depends on the number of coupled…

Optics · Physics 2021-06-11 Adarsh B Vasista , Kishan S Menghrajani , William L Barnes

Ionization phenomena are widely studied for decades. With the advent of cavity technology, the question arises how quantum light affects molecular ionization. As the ionization spectrum is recorded from the neutral ground state, it is…

Chemical Physics · Physics 2024-04-23 Csaba Fábri , Gábor J. Halász , Lorenz S. Cederbaum , Ágnes Vibók

It has been experimentally demonstrated that reaction rates for molecules embedded in microfluidic optical cavities are altered when compared to rates observed under "ordinary" reaction conditions. However, precise mechanisms of how strong…

Quantum Physics · Physics 2022-04-22 Eric W. Fischer , Janet Anders , Peter Saalfrank
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