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Efficient symmetry-preserving state preparation circuits for the variational quantum eigensolver algorithm

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dc.contributor.authorGard, Bryan T.en
dc.contributor.authorZhu, Linghuaen
dc.contributor.authorBarron, George S.en
dc.contributor.authorMayhall, Nicholas J.en
dc.contributor.authorEconomou, Sophia E.en
dc.contributor.authorBarnes, Edwin Flemingen
dc.contributor.departmentChemistryen
dc.contributor.departmentPhysicsen
dc.date.accessioned2020-05-21T13:02:37Zen
dc.date.available2020-05-21T13:02:37Zen
dc.date.issued2020-01-28en
dc.description.abstractThe variational quantum eigensolver is one of the most promising approaches for performing chemistry simulations using noisy intermediate-scale quantum (NISQ) processors. The efficiency of this algorithm depends crucially on the ability to prepare multiqubit trial states on the quantum processor that either include, or at least closely approximate, the actual energy eigenstates of the problem being simulated while avoiding states that have little overlap with them. Symmetries play a central role in determining the best trial states. Here, we present efficient state preparation circuits that respect particle number, total spin, spin projection, and time-reversal symmetries. These circuits contain the minimal number of variational parameters needed to fully span the appropriate symmetry subspace dictated by the chemistry problem while avoiding all irrelevant sectors of Hilbert space. We show how to construct these circuits for arbitrary numbers of orbitals, electrons, and spin quantum numbers, and we provide explicit decompositions and gate counts in terms of standard gate sets in each case. We test our circuits in quantum simulations of the H2 and LiH molecules and find that they outperform standard state preparation methods in terms of both accuracy and circuit depth.en
dc.description.notesThis research was supported by the US Department of Energy (Award No. de-sc 0019199) and the National Science Foundation (Award No. 1839136). S.E.E. also acknowledges support from Award No. de-sc 0019318 from the Department of Energy. This research used quantum computing system resources supported by the U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research program office. Oak Ridge National Laboratory manages access to the IBM Q System as part of the IBM Q Network.en
dc.description.sponsorshipUS Department of EnergyUnited States Department of Energy (DOE) [de-sc 0019199]; National Science FoundationNational Science Foundation (NSF) [1839136]; Department of EnergyUnited States Department of Energy (DOE) [de-sc 0019318]; U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research program officeUnited States Department of Energy (DOE)en
dc.format.mimetypeapplication/pdfen
dc.identifier.doihttps://doi.org/10.1038/s41534-019-0240-1en
dc.identifier.eissn2056-6387en
dc.identifier.issue1en
dc.identifier.other10en
dc.identifier.urihttp://hdl.handle.net/10919/98506en
dc.identifier.volume6en
dc.language.isoenen
dc.rightsCreative Commons Attribution 4.0 Internationalen
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/en
dc.titleEfficient symmetry-preserving state preparation circuits for the variational quantum eigensolver algorithmen
dc.title.serialNPJ Quantum Informationen
dc.typeArticle - Refereeden
dc.type.dcmitypeTexten
dc.type.dcmitypeStillImageen

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