QC Lab: A Python Package for Quantum-Classical Dynamics

Abstract

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.