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dc.contributor.authorFilip, MA
dc.contributor.authorFitzpatrick, N
dc.contributor.authorMuñoz Ramo, D
dc.contributor.authorThom, AJW
dc.date.accessioned2022-07-05T23:30:18Z
dc.date.available2022-07-05T23:30:18Z
dc.date.issued2022
dc.identifier.issn2643-1564
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/338827
dc.description.abstractUnitary Coupled Cluster (UCC) approaches are an appealing route to utilising quantum hardware to perform quantum chemistry calculations, as quantum computers can in principle perform UCC calculations in a polynomially scaling fashion, as compared to the exponential scaling required on classical computers. Current noisy intermediate scale quantum (NISQ) computers are limited by both hardware capacity in number of logical qubits and the noise introduced by the deep circuits required for UCC calculations using the Variational Quantum Eigensolver (VQE) approach. We present a combined classical--quantum approach where a stochastic classical UCC pre-processing step is used to determine the important excitations in the UCC ansatz. The reduced number of selected excitations are then used in a UCC-based VQE calculation. This approach gives a systematically improvable approximation, and we show that significant reductions in quantum resources can be achieved, with simulations on the CH$_2$, N$_2$ and N$_2$H$_2$ molecules giving sub-milliHartree errors.
dc.publisherAmerican Physical Society (APS)
dc.rightsAttribution 4.0 International
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.subjectquant-ph
dc.subjectquant-ph
dc.subjectphysics.chem-ph
dc.titleReducing unitary coupled cluster circuit depth by classical stochastic amplitude prescreening
dc.typeArticle
dc.publisher.departmentYusuf Hamied Department of Chemistry
dc.publisher.departmentDepartment of Chemistry
dc.date.updated2022-06-28T20:07:44Z
prism.issueIdentifier2
prism.number023243
prism.publicationNamePhysical Review Research
prism.volume4
dc.identifier.doi10.17863/CAM.86234
dcterms.dateAccepted2022-05-24
rioxxterms.versionofrecord10.1103/PhysRevResearch.4.023243
rioxxterms.versionVoR
dc.contributor.orcidFilip, MA [0000-0002-9551-0235]
dc.contributor.orcidThom, AJW [0000-0002-2417-7869]
dc.identifier.eissn2643-1564
rioxxterms.typeJournal Article/Review
pubs.funder-project-idRoyal Society (RGF/EA/180055)
cam.issuedOnline2022-06-27
datacite.issupplementedby.urlhttps://doi.org/10.17863/CAM.86061
cam.depositDate2022-06-28
pubs.licence-identifierapollo-deposit-licence-2-1
pubs.licence-display-nameApollo Repository Deposit Licence Agreement


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Attribution 4.0 International
Except where otherwise noted, this item's licence is described as Attribution 4.0 International