Theoretical challenges in polaritonic chemistry
Polaritonic chemistry exploits strong light–matter coupling between molecules and confined
electromagnetic field modes to enable new chemical reactivities. In systems displaying this …
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 …
between organic molecules (or quantum emitters, in general) and light modes. The …
Photoprotecting uracil by coupling with lossy nanocavities
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 …
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
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 …
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
Light-induced nonadiabatic phenomena arise when molecules or molecular ensembles are
exposed to resonant external electromagnetic fields. The latter can either be classical laser …
exposed to resonant external electromagnetic fields. The latter can either be classical laser …
Radiative emission of polaritons controlled by light-induced geometric phase
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 …
underlying matter. In optical or plasmonic nanocavities, polaritons decay by radiative …
Probing light-induced conical intersections by monitoring multidimensional polaritonic surfaces
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 …
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 …
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
Plexcitonic strong coupling has ushered in an era of room‐temperature quantum
electrodynamics at the nanoscale. Realizing its potential applications from single‐molecule …
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 …
trajectories is proving to be powerful and practical. Here, we analyze the performance of the …