Theoretical advances in polariton chemistry and molecular cavity quantum electrodynamics

A Mandal, MAD Taylor, BM Weight… - Chemical …, 2023 - ACS Publications
When molecules are coupled to an optical cavity, new light–matter hybrid states, so-called
polaritons, are formed due to quantum light–matter interactions. With the experimental …

The rise and current status of polaritonic photochemistry and photophysics

R Bhuyan, J Mony, O Kotov, GW Castellanos… - Chemical …, 2023 - ACS Publications
The interaction between molecular electronic transitions and electromagnetic fields can be
enlarged to the point where distinct hybrid light–matter states, polaritons, emerge. The …

Modification of ground-state chemical reactivity via light–matter coherence in infrared cavities

W Ahn, JF Triana, F Recabal, F Herrera, BS Simpkins - Science, 2023 - science.org
Reaction-rate modifications for chemical processes due to strong coupling between reactant
molecular vibrations and the cavity vacuum have been reported; however, no currently …

Understanding polaritonic chemistry from ab initio quantum electrodynamics

M Ruggenthaler, D Sidler, A Rubio - Chemical Reviews, 2023 - ACS Publications
In this review, we present the theoretical foundations and first-principles frameworks to
describe quantum matter within quantum electrodynamics (QED) in the low-energy regime …

Molecular polaritonics: Chemical dynamics under strong light–matter coupling

TE Li, B Cui, JE Subotnik, A Nitzan - Annual review of physical …, 2022 - annualreviews.org
Chemical manifestations of strong light–matter coupling have recently been a subject of
intense experimental and theoretical studies. Here we review the present status of this field …

Ultrastrong coupling between light and matter

A Frisk Kockum, A Miranowicz, S De Liberato… - Nature Reviews …, 2019 - nature.com
Ultrastrong coupling between light and matter has, in the past decade, transitioned from a
theoretical idea to an experimental reality. It is a new regime of quantum light–matter …

Engineering quantum materials with chiral optical cavities

H Hübener, U De Giovannini, C Schäfer, J Andberger… - Nature materials, 2021 - nature.com
Strong light–matter coupling in quantum cavities provides a pathway to break fundamental
materials symmetries, like time-reversal symmetry in chiral cavities. This Comment …

Cavity frequency-dependent theory for vibrational polariton chemistry

X Li, A Mandal, P Huo - Nature communications, 2021 - nature.com
Recent experiments demonstrate the control of chemical reactivities by coupling molecules
inside an optical microcavity. In contrast, transition state theory predicts no change of the …

[HTML][HTML] Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems

N Tancogne-Dejean, MJT Oliveira… - The Journal of …, 2020 - pubs.aip.org
Over the last few years, extraordinary advances in experimental and theoretical tools have
allowed us to monitor and control matter at short time and atomic scales with a high degree …

Shining light on the microscopic resonant mechanism responsible for cavity-mediated chemical reactivity

C Schäfer, J Flick, E Ronca, P Narang… - Nature …, 2022 - nature.com
Strong light–matter interaction in cavity environments is emerging as a promising approach
to control chemical reactions in a non-intrusive and efficient manner. The underlying …