activity
20212025
most citedA Reciprocal-Space Formulation of Mixed Quantum-Classical Dynamics

14 citations · 40 across the 11 of their papers we have counts for

collaborators
Showing physics.chem-phShow all

6 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★ 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…

physics.chem-ph2023★ 4 cited

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…

physics.chem-ph2022★ 11 cited

A Mean-Field Treatment of Vacuum Fluctuations in Strong Light-Matter Coupling

Ming-Hsiu Hsieh, Alex Krotz, Roel Tempelaar

Mean-field mixed quantum--classical dynamics could provide a much-needed means to inexpensively model quantum electrodynamical phenomena, by describing the optical field and its va…

physics.chem-ph2022★ 1 cited

Treating geometric phase effects in nonadiabatic dynamics

Alex Krotz, Roel Tempelaar

We present an approach for eliminating the gauge freedom for derivative couplings in nonadiabatic dynamics in the presence of geometric phase effects. This approach relies on a bot…

physics.chem-ph2021★ 14 cited

A Reciprocal-Space Formulation of Mixed Quantum-Classical Dynamics

Alex Krotz, Justin Provazza, Roel Tempelaar

We derive a formulation of mixed quantum-classical dynamics for describing electronic carriers interacting with phonons in reciprocal space. For dispersionless phonons, we start by…