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 …

Polaritonic response theory for exact and approximate wave functions

M Castagnola, RR Riso, A Barlini… - Wiley Interdisciplinary …, 2024 - Wiley Online Library
Polaritonic chemistry is an interdisciplinary emerging field that presents several challenges
and opportunities in chemistry, physics, and engineering. A systematic review of polaritonic …

Ab Initio Calculations of Quantum Light–Matter Interactions in General Electromagnetic Environments

MK Svendsen, KS Thygesen, A Rubio… - Journal of Chemical …, 2024 - ACS Publications
The emerging field of strongly coupled light–matter systems has drawn significant attention
in recent years because of the prospect of altering both the physical and chemical properties …

Relativistic linear response in quantum-electrodynamical density functional theory

L Konecny, VP Kosheleva, H Appel… - arxiv preprint arxiv …, 2024 - arxiv.org
We present the theoretical derivation and numerical implementation of the linear response
equations for relativistic quantum electrodynamical density functional theory (QEDFT). In …

Nonperturbative mass renormalization effects in nonrelativistic quantum electrodynamics

DM Welakuh, V Rokaj, M Ruggenthaler, A Rubio - Physical Review Research, 2025 - APS
In this work we investigate the effects that multimode photonic environments, eg, optical
cavities, have on the properties of quantum matter. We highlight the importance of the …

Tunable nonlinearity and efficient harmonic generation from a strongly coupled light–matter system

DM Welakuh, P Narang - ACS Photonics, 2023 - ACS Publications
Strong light–matter coupling within electromagnetic environments provides a promising path
to modify and control chemical and physical processes. The origin of the enhancement of …

The connection of polaritonic chemistry with the physics of a spin glass

D Sidler, M Ruggenthaler, A Rubio - arxiv preprint arxiv:2409.08986, 2024 - arxiv.org
Polaritonic chemistry has garnered increasing attention in recent years due to pioneering
experimental results, which show that site-and bond-selective chemistry at room …

Nonlinear optical processes in centrosymmetric systems by cavity-induced symmetry breaking

DM Welakuh, P Narang - ACS Photonics, 2024 - ACS Publications
Nonlinear optical processes associated with even-order nonlinear susceptibilities are critical
for both classical and quantum technologies. Inversion symmetry, however, prevents …

Cavity-mediated molecular entanglement and generation of non-classical states of light

DM Welakuh, S Tserkis, SE Smart… - The Journal of Physical …, 2024 - ACS Publications
The generation and control of entanglement in a quantum mechanical system are critical
elements of nearly all quantum applications. Molecular systems are promising candidates …