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 …

Multidimensional coherent spectroscopy of molecular polaritons: Langevin approach

Z Zhang, X Nie, D Lei, S Mukamel - Physical Review Letters, 2023 - APS
We present a microscopic theory for nonlinear optical spectroscopy of N molecules in an
optical cavity. Using the Heisenberg-Langevin equation, an analytical expression is derived …

Chiral-induced spin selectivity in photon-coupled achiral matters

N Thanh Phuc - The Journal of Physical Chemistry Letters, 2023 - ACS Publications
Chiral-induced spin selectivity is a phenomenon in which electron spins are polarized as
they are transported through chiral molecules, and the spin polarization depends on the …

Optical Emission Spectra of Molecular Excitonic Polariton Computed at the First‐Principles Level QED‐TDDFT

S Deng, J Yang, Y Shao, Q Ou, Z Shuai - ChemPhotoChem, 2024 - Wiley Online Library
In microcavity, strong coupling between light and molecules leads to the formation of hybrid
excitations, ie, the polaritons, or exciton‐polaritons. Such coupling may alter the energy …

Bose enhancement of excitation-energy transfer with molecular-exciton-polariton condensates

NT Phuc - The Journal of Chemical Physics, 2022 - pubs.aip.org
Room-temperature Bose–Einstein condensates (BECs) of exciton polaritons have been
realized in organic molecular systems owing to strong light–matter interaction, strong exciton …

Semiclassical Truncated-Wigner-Approximation Theory of Molecular Vibration-Polariton Dynamics in Optical Cavities

NT Phuc - Journal of Chemical Theory and Computation, 2024 - ACS Publications
It has been experimentally demonstrated that molecular-vibration polaritons formed by
strong coupling of a molecular vibration to an infrared cavity mode can significantly modify …

Semiclassical Truncated-Wigner-Approximation Theory of Molecular Exciton-Polariton Dynamics in Optical Cavities

NT Phuc - arXiv preprint arXiv:2409.18460, 2024 - arxiv.org
Molecular exciton polaritons are hybrid states resulting from the strong coupling of molecular
electronic excitations with an optical cavity mode, presenting a promising approach for …

Chiral cavity induced spin selectivity

NT Phuc - arXiv preprint arXiv:2209.12170, 2022 - arxiv.org
Chiral-induced spin selectivity (CISS) is a phenomenon in which electron spins are
polarized as they are transported through chiral molecules, and the spin polarization …

The Committor in Quantum Systems for Transition States, Reaction Mechanisms, and Coherent Control

M Anderson - 2024 - search.proquest.com
Understanding reaction dynamics in chemical systems is the first step towards manipulating
those reactions to improve efficiency or avoid undesired products. Computational modeling …

[HTML][HTML] 2021 JCP Emerging Investigator Special Collection

M Ceriotti, L Jensen, DE Manolopoulos… - The Journal of …, 2023 - pubs.aip.org
The Journal of Chemical Physics Emerging Investigator Special Collection and Best Paper
Award were first launched in 2019 to recognize the achievements of early career …