activity
20172026
most citedVibronic exciton theory of singlet fission. I. Linear absorption and the anatomy of the correlated triplet pair state

87 citations · 510 across the 26 of their papers we have counts for

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Showing 2025Show all

5 papers · 1 filter

physics.chem-ph2025

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…

physics.chem-ph2025

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…

physics.chem-ph2025★ 3 cited

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…

cond-mat.mtrl-sci2025★ 1 cited

Surface hopping simulations show valley depolarization driven by exciton-phonon resonance

Alex Krotz, Roel Tempelaar

Resonances between excitonic transitions and nuclear coordinates have been shown to drive a variety of excited-state dynamical phenomena in molecular systems. Here, we report mixed…

quant-ph2025★ 2 cited

Mixed Quantum-Classical Dynamics Yields Anharmonic Rabi Oscillations

Ming-Hsiu Hsieh, Roel Tempelaar

We apply a mixed quantum-classical (MQC) approach to the quantum Rabi model, involving a classical optical field coupled self-consistently to a quantum two-level system. Under the…