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QC Lab: A Python Package for Quantum-Classical Dynamics
Alex Krotz1, Antonio J Garzón-Ramírez1, Ethan Byrd1
1Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208, United States.
None:
QC Lab is an open-source Python package for quantum-classical (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 version of QC Lab, and describe its design philosophy.
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