Theoretical challenges in polaritonic chemistry

J Fregoni, FJ Garcia-Vidal, J Feist - ACS photonics, 2022 - ACS Publications
Polaritonic chemistry exploits strong light–matter coupling between molecules and confined
electromagnetic field modes to enable new chemical reactivities. In systems displaying this …

A theoretical perspective on molecular polaritonics

M Sánchez-Barquilla, AI Fernández-Domínguez… - ACS …, 2022 - ACS Publications
In the past decade, much theoretical research has focused on studying the strong coupling
between organic molecules (or quantum emitters, in general) and light modes. The …

Photoprotecting uracil by coupling with lossy nanocavities

S Felicetti, J Fregoni, T Schnappinger… - The journal of …, 2020 - ACS Publications
We analyze how the photorelaxation dynamics of a molecule can be controlled by modifying
its electromagnetic environment using a nanocavity mode. In particular, we consider the …

[HTML][HTML] Light–matter interaction of a molecule in a dissipative cavity from first principles

DS Wang, T Neuman, J Flick, P Narang - The Journal of Chemical …, 2021 - pubs.aip.org
Cavity-mediated light–matter coupling can dramatically alter opto-electronic and physico-
chemical properties of a molecule. Ab initio theoretical predictions of these systems need to …

Competition between collective and individual conical intersection dynamics in an optical cavity

A Csehi, O Vendrell, GJ Halasz… - New Journal of Physics, 2022 - iopscience.iop.org
Light-induced nonadiabatic phenomena arise when molecules or molecular ensembles are
exposed to resonant external electromagnetic fields. The latter can either be classical laser …

Radiative emission of polaritons controlled by light-induced geometric phase

C Fábri, GJ Halász, LS Cederbaum… - Chemical …, 2022 - pubs.rsc.org
Polaritons–hybrid light-matter states formed in cavity–strongly change the properties of the
underlying matter. In optical or plasmonic nanocavities, polaritons decay by radiative …

Probing light-induced conical intersections by monitoring multidimensional polaritonic surfaces

C Fábri, GJ Halász, Á Vibók - The Journal of Physical Chemistry …, 2022 - ACS Publications
The interaction of a molecule with the quantized electromagnetic field of a nanocavity gives
rise to light-induced conical intersections between polaritonic potential energy surfaces. We …

Nonadiabatic wave packet dynamics with ab initio cavity-Born-Oppenheimer potential energy surfaces

T Schnappinger, M Kowalewski - Journal of Chemical Theory and …, 2023 - ACS Publications
Strong coupling of molecules with quantized electromagnetic fields can reshape their
potential energy surfaces by forming dressed states. In such a scenario, it is possible to …

Control of plexcitonic strong coupling via substrate‐mediated hotspot nanoengineering

X Xiong, Y Lai, D Clarke, N Kongsuwan… - Advanced Optical …, 2022 - Wiley Online Library
Plexcitonic strong coupling has ushered in an era of room‐temperature quantum
electrodynamics at the nanoscale. Realizing its potential applications from single‐molecule …

[HTML][HTML] Analysis of the classical trajectory treatment of photon dynamics for polaritonic phenomena

B Rosenzweig, NM Hoffmann, L Lacombe… - The Journal of …, 2022 - pubs.aip.org
Simulating photon dynamics in strong light–matter coupling situations via classical
trajectories is proving to be powerful and practical. Here, we analyze the performance of the …