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dc.contributor.authorBabbush, Ryan Joseph
dc.contributor.authorLove, Peter
dc.contributor.authorAspuru-Guzik, Alan
dc.date.accessioned2016-11-03T13:56:32Z
dc.date.issued2014
dc.identifier.citationBabbush, Ryan, Peter J. Love, and Alán Aspuru-Guzik. 2014. “Adiabatic Quantum Simulation of Quantum Chemistry.” Scientific Reports 4 (October 13): 6603. doi:10.1038/srep06603.en_US
dc.identifier.issn2045-2322en_US
dc.identifier.urihttp://nrs.harvard.edu/urn-3:HUL.InstRepos:29304543
dc.description.abstractWe show how to apply the quantum adiabatic algorithm directly to the quantum computation of molecular properties. We describe a procedure to map electronic structure Hamiltonians to 2-body qubit Hamiltonians with a small set of physically realizable couplings. By combining the Bravyi-Kitaev construction to map fermions to qubits with perturbative gadgets to reduce the Hamiltonian to 2-body, we obtain precision requirements on the coupling strengths and a number of ancilla qubits that scale polynomially in the problem size. Hence our mapping is efficient. The required set of controllable interactions includes only two types of interaction beyond the Ising interactions required to apply the quantum adiabatic algorithm to combinatorial optimization problems. Our mapping may also be of interest to chemists directly as it defines a dictionary from electronic structure to spin Hamiltonians with physical interactions.en_US
dc.description.sponsorshipChemistry and Chemical Biologyen_US
dc.description.sponsorshipPhysicsen_US
dc.language.isoen_USen_US
dc.publisherNature Publishing Groupen_US
dc.relation.isversionofdoi:10.1038/srep06603en_US
dc.relation.hasversionhttp://arxiv.org/pdf/1311.3967v2.pdfen_US
dash.licenseLAA
dc.subjectQuantum chemistryen_US
dc.subjectQuantum informationen_US
dc.titleAdiabatic Quantum Simulation of Quantum Chemistryen_US
dc.typeJournal Articleen_US
dc.description.versionVersion of Recorden_US
dc.relation.journalSci. Rep.en_US
dash.depositing.authorAspuru-Guzik, Alan
dc.date.available2016-11-03T13:56:32Z
dc.identifier.doi10.1038/srep06603*
dash.identifier.orcid0000-0001-6979-9533en_US
dash.contributor.affiliatedLove, Peter
dash.contributor.affiliatedBabbush, Ryan Joseph
dash.contributor.affiliatedAspuru-Guzik, Alan
dc.identifier.orcid0000-0001-6979-9533


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