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 …

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 …

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 …

Chemistry under vibrational strong coupling

K Nagarajan, A Thomas… - Journal of the American …, 2021 - ACS Publications
Over the past decade, the possibility of manipulating chemistry and material properties using
hybrid light–matter states has stimulated considerable interest. Hybrid light–matter states …

[HTML][HTML] Quantum dynamical effects of vibrational strong coupling in chemical reactivity

LP Lindoy, A Mandal, DR Reichman - Nature Communications, 2023 - nature.com
Recent experiments suggest that ground state chemical reactivity can be modified when
placing molecular systems inside infrared cavities where molecular vibrations are strongly …

Control, modulation, and analytical descriptions of vibrational strong coupling

BS Simpkins, AD Dunkelberger, I Vurgaftman - Chemical Reviews, 2023 - ACS Publications
Here, we review the design of optical cavities, transient and modulated responses, and
theoretical models relevant to vibrational strong coupling (VSC). While planar Fabry–Perot …

Molecular chemistry in cavity strong coupling

K Hirai, JA Hutchison, H Uji-i - Chemical Reviews, 2023 - ACS Publications
The coherent exchange of energy between materials and optical fields leads to strong light–
matter interactions and so-called polaritonic states with intriguing properties, halfway …

[HTML][HTML] 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 …

Vibration-cavity polariton chemistry and dynamics

AD Dunkelberger, BS Simpkins… - Annual review of …, 2022 - annualreviews.org
Molecular polaritons result from light-matter coupling between optical resonances and
molecular electronic or vibrational transitions. When the coupling is strong enough, new …

Cavity born–oppenheimer hartree–fock ansatz: Light–matter properties of strongly coupled molecular ensembles

T Schnappinger, D Sidler, M Ruggenthaler… - The Journal of …, 2023 - ACS Publications
Experimental studies indicate that optical cavities can affect chemical reactions through
either vibrational or electronic strong coupling and the quantized cavity modes. However …