Cavity-enhanced energy transport in molecular systems

G Sandik, J Feist, FJ García-Vidal, T Schwartz - Nature Materials, 2024 - nature.com
Molecules are the building blocks of all of nature's functional components, serving as the
machinery that captures, stores and releases energy or converts it into useful work …

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 …

Simulating molecular polaritons in the collective regime using few-molecule models

JB Pérez-Sánchez, A Koner… - Proceedings of the …, 2023 - National Acad Sciences
The study of molecular polaritons beyond simple quantum emitter ensemble models (eg,
Tavis–Cummings) is challenging due to the large dimensionality of these systems and the …

Open quantum system dynamics from infinite tensor network contraction

V Link, HH Tu, WT Strunz - Physical Review Letters, 2024 - APS
Approaching the long-time dynamics of non-Markovian open quantum systems presents a
challenging task if the bath is strongly coupled. Recent proposals address this problem …

OQuPy: A Python package to efficiently simulate non-Markovian open quantum systems with process tensors

GE Fux, P Fowler-Wright, J Beckles, EP Butler… - The Journal of …, 2024 - pubs.aip.org
Non-Markovian dynamics arising from the strong coupling of a system to a structured
environment is essential in many applications of quantum mechanics and emerging …

Linear response of molecular polaritons

J Yuen-Zhou, A Koner - The Journal of Chemical Physics, 2024 - pubs.aip.org
In this article, we show that the collective light–matter strong coupling regime where N
molecular emitters couple to the photon mode of an optical cavity can be mapped to a …

Polariton spectra under the collective coupling regime. I. Efficient simulation of linear spectra and quantum dynamics

ME Mondal, AN Vamivakas, ST Cundiff… - The Journal of …, 2025 - pubs.aip.org
We outline two general theoretical techniques to simulate polariton quantum dynamics and
optical spectra under the collective coupling regimes described by a Holstein–Tavis …

Capturing long-range memory structures with tree-geometry process tensors

N Dowling, K Modi, RN Muñoz, S Singh, GAL White - Physical Review X, 2024 - APS
We introduce a class of quantum non-Markovian processes—dubbed process trees—that
exhibit polynomially decaying temporal correlations and memory distributed across …

One molecule to couple them all: Toward realistic numbers of molecules in multiscale molecular dynamics simulations of exciton-polaritons

I Sokolovskii, D Morozov, G Groenhof - The Journal of Chemical …, 2024 - pubs.aip.org
Collective strong coupling of many molecules to the confined light modes of an optical
resonator can influence the photochemistry of these molecules, but the origin of this effect is …

Investigating the collective nature of cavity-modified chemical kinetics under vibrational strong coupling

LP Lindoy, A Mandal, DR Reichman - Nanophotonics, 2024 - degruyter.com
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) …