QC Lab: A Python Package for Quantum-Classical Dynamics

Fuente: arXiv
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Bibliographic Details
Main Authors: Krotz, Alex, Byrd, Ethan, Miyazaki, Ken, Tempelaar, Roel
Format: Preprint
Published: 2025
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author Krotz, Alex
Byrd, Ethan
Miyazaki, Ken
Tempelaar, Roel
author_facet Krotz, Alex
Byrd, Ethan
Miyazaki, Ken
Tempelaar, Roel
contents 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 problems. It follows a modular design that facilitates cross-compatibility between algorithms and models. By decomposing algorithms and models into a series of tasks and ingredients that can be substituted and reused, it minimizes development efforts and code redundancy. In this Paper, we introduce the first stable release of QC Lab, and describe its design philosophy.
format Preprint
id arxiv_https___arxiv_org_abs_2510_22919
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle QC Lab: A Python Package for Quantum-Classical Dynamics
Krotz, Alex
Byrd, Ethan
Miyazaki, Ken
Tempelaar, Roel
Chemical Physics
Computational Physics
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 problems. It follows a modular design that facilitates cross-compatibility between algorithms and models. By decomposing algorithms and models into a series of tasks and ingredients that can be substituted and reused, it minimizes development efforts and code redundancy. In this Paper, we introduce the first stable release of QC Lab, and describe its design philosophy.
title QC Lab: A Python Package for Quantum-Classical Dynamics
topic Chemical Physics
Computational Physics
url https://arxiv.org/abs/2510.22919