3 papers
cond-mat.mtrl-sci2026
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…
physics.chem-ph2025
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…
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…