73 citations · 121 across the 19 of their papers we have counts for
14 papers · 1 filter
How Symmetry Governs the Dihedral Angle Dependence of Intermolecular Spin-Orbit Coupling
Antonio J. Garzon-Ramirez, Connor K. Terry Weatherly, Kyle T. Kairys +2
Spin-orbit, charge-transfer intersystem crossing (SOCT-ISC) allows for the efficient production of triplet excited states in donor-acceptor (DA) dyads without the involvement of he…
QC Lab: A Python Package for Quantum-Classical Dynamics
Alex Krotz, Ethan Byrd, Ken Miyazaki +1
QC Lab is an open-source Python package for QC dynamics simulations aimed to promote the development of QC algorithms, and their application to a wide variety of relevant model pro…
Optically Addressing Circularly-Polarized Vibrations in Molecules
Chientzu Lin, Connor K. Terry Weatherly, Roel Tempelaar
Circularly-polarized (CP) vibrations are the nuclear-motion analog of CP light, emerging in molecules with non-Abelian point-group symmetry that support orthogonal and degenerate v…
Focused Sampling for Low-Cost and Accurate Ehrenfest Modeling of Cavity Quantum Electrodynamics
Ming-Hsiu Hsieh, Alex Krotz, Roel Tempelaar
An economic modeling approach for cavity quantum electrodynamics is provided by mean-field dynamics, wherein the optical field is described classically while a self-consistent inte…
Ehrenfest Modeling of Cavity Vacuum Fluctuations and How to Achieve Emission from a Three-Level Atom
Ming-Hsiu Hsieh, Alex Krotz, Roel Tempelaar
A much-needed solution for the efficient modeling of strong coupling between matter and optical cavity modes is offered by mean-field mixed quantum--classical dynamics, where a cla…
UV/vis-to-IR Photonic Down Conversion Mediated by Excited State Vibrational Polaritons
Connor K. Terry Weatherly, Justin Provazza, Emily A. Weiss +1
This work proposes a new photophysical phenomenon whereby UV/vis excitation of a molecule involving a Franck-Condon (FC) active vibration yields infrared (IR) emission by strong co…