Tangelo: An Open-source Python Package for End-to-end Chemistry Workflows on Quantum Computers

Valentin Senicourt; James Brown; Alexandre Fleury; Ryan Day; Erika Lloyd; Marc P. Coons; Krzysztof Bieniasz; Lee Huntington; Alejandro J. Garza; Shunji Matsuura; Rudi Plesch; Takeshi Yamazaki; Arman Zaribafiyan

doi:10.48550/arxiv.2206.12424

Papers

qcr:2606.11054.1

Tangelo: An Open-source Python Package for End-to-end Chemistry Workflows on Quantum Computers

arXiv

Valentin Senicourt, James Brown, Alexandre Fleury, +10 more

Tangelo [link: https://github.com/goodchemistryco/Tangelo] is an open-source Python software package for the development of end-to-end chemistry workflows on quantum computers, released under Apache 2.0 license. It aims to support the design of successful experiments on quantum hardware, and to facilitate advances in quantum algorithm development. The software enables quick exploration of different approaches by assembling reusable building blocks and algorithms, with the flexibility to let users introduce their own. Tangelo is backend-agnostic and enables switching between various backends (Braket, Qiskit, Qulacs, Azure Quantum, QDK, Cirq...) with minimal changes in the code. The package can be used to explore quantum computing applications such as open-shell systems, excited states, or more industrially-relevant systems by leveraging problem decomposition at scale. This paper outlines the design choices, philosophy, and main features of Tangelo.

10.48550/arxiv.2206.12424

Published 2022

Uploaded 3 days ago

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