A quantum computing view on unitary coupled cluster theory
Chemical Society Reviews, vol. 51, pp. 1659–1684
Abstract
We present a review of the Unitary Coupled Cluster (UCC) ansatz and related ansätze which are used to variationally solve the electronic structure problem on quantum computers. A brief history of coupled cluster (CC) methods is provided, followed by a broad discussion of the formulation of CC theory. This includes touching on the merits and difficulties of the method and several variants, UCC among them, in the classical context, to motivate their applications on quantum computers. In the core of the text, the UCC ansatz and its implementation on a quantum computer are discussed at length, in addition to a discussion on several derived and related ansätze specific to quantum computing. The review concludes with a unified perspective on the discussed ansätze, attempting to bring them under a common framework, as well as with a reflection upon open problems within the field.
Authors 10
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Abhinav Anand corresponding
Affiliation as printed
Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, Ontario M5S 3H6, Canada
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Philipp Schleich corresponding Aachen Applied and Computational Mathematics Department of Mathematics
University of Toronto · Vector Institute · RWTH Aachen University
Affiliation as printed
Applied and Computational Mathematics, Department of Mathematics, RWTH Aachen University, Aachen, Germany
Department of Computer Science, University of Toronto, 214 College St, Toronto, ONM5T 3A1, Canada
Vector Institute for Artificial Intelligence, 661 University Ave. Suite 710, Toronto, Ontario M5G 1M1, Canada
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Affiliation as printed
Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, Ontario M5S 3H6, Canada
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Affiliation as printed
Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, Ontario M5S 3H6, Canada
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Affiliation as printed
Department of Chemistry and Chemical Biology, Harvard University, USA
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University of Toronto · University of Toronto Scarborough
Affiliation as printed
Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, Ontario M5S 3H6, Canada
Department of Physical and Environmental Sciences, University of Toronto Scarborough, Canada
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Affiliation as printed
Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, Ontario M5S 3H6, Canada
Department of Computer Science, University of Toronto, 214 College St, Toronto, ONM5T 3A1, Canada
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Affiliation as printed
Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, Ontario M5S 3H6, Canada
Department of Computer Science, University of Toronto, 214 College St, Toronto, ONM5T 3A1, Canada
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Artur F. Izmaylov corresponding
University of Toronto · University of Toronto Scarborough
Affiliation as printed
Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, Ontario M5S 3H6, Canada
Department of Physical and Environmental Sciences, University of Toronto Scarborough, Canada
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Alán Aspuru‐Guzik corresponding
Canadian Institute for Advanced Research · University of Toronto · Vector Institute
Affiliation as printed
Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, Ontario M5S 3H6, Canada
Department of Computer Science, University of Toronto, 214 College St, Toronto, ONM5T 3A1, Canada
Lebovic Fellow, Canadian Institute for Advanced Research (CIFAR), 661 University Ave., Toronto, ON M5G 1M1, Canada
Vector Institute for Artificial Intelligence, 661 University Ave. Suite 710, Toronto, Ontario M5G 1M1, Canada
Cited by 219 stored of 218
Cited by patents worldwide 2 (Lens.org)
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HYBRID QUANTUM-CLASSICAL COMPUTING SYSTEM FOR SIMULATION OF CHEMICAL SYSTEMS USING A CHEMICALLY AWARE STATE-PREPARATION STRATEGYWO2023227469A1 2023-11-30 Pending