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A physics-informed measurement protocol for expectation values of fermionic observables

  • A central roadblock in the realization of variational quantum eigensolvers on quantum hardware is the high overhead associated with measurement repetitions, which hampers the simulation of complex systems, such as mid- and large-sized molecules. We propose a novel measurement protocol that relies on computing an approximation of the Hamiltonian expectation value. It involves an iterative procedure that measures easily accessible operator groups in different fermionic bases. The measured elements are defined by the hard-core bosonic approximation, encoding electron-pair annihilation and creation operators. These can be decomposed into three self-commuting groups to measure simultaneously. Applied to molecular systems, the method achieves a reduction of 30% to 80% in the number of measurements and gate depth in the measuring circuits compared to state-of-the-art methods. This provides a scalable and cheap measurement protocol, advancing the application of variational approaches forA central roadblock in the realization of variational quantum eigensolvers on quantum hardware is the high overhead associated with measurement repetitions, which hampers the simulation of complex systems, such as mid- and large-sized molecules. We propose a novel measurement protocol that relies on computing an approximation of the Hamiltonian expectation value. It involves an iterative procedure that measures easily accessible operator groups in different fermionic bases. The measured elements are defined by the hard-core bosonic approximation, encoding electron-pair annihilation and creation operators. These can be decomposed into three self-commuting groups to measure simultaneously. Applied to molecular systems, the method achieves a reduction of 30% to 80% in the number of measurements and gate depth in the measuring circuits compared to state-of-the-art methods. This provides a scalable and cheap measurement protocol, advancing the application of variational approaches for simulating physical systems.show moreshow less

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Metadaten
Author:Davide BincolettoORCiD, Jakob S. KottmannORCiDGND
URN:urn:nbn:de:bvb:384-opus4-1291258
Frontdoor URLhttps://opus.bibliothek.uni-augsburg.de/opus4/129125
ISSN:2635-098XOPAC
Parent Title (English):Digital Discovery
Publisher:Royal Society of Chemistry (RSC)
Place of publication:Cambridge
Type:Article
Language:English
Year of first Publication:2026
Publishing Institution:Universität Augsburg
Release Date:2026/03/19
Volume:5
Issue:3
First Page:1257
Last Page:1268
DOI:https://doi.org/10.1039/d5dd00251f
Institutes:Fakultät für Angewandte Informatik
Fakultätsübergreifende Institute und Einrichtungen
Fakultät für Angewandte Informatik / Institut für Informatik
Fakultätsübergreifende Institute und Einrichtungen / Zentrum für Advanced Analytics and Predictive Sciences (CAAPS)
Fakultät für Angewandte Informatik / Institut für Informatik / Professur für Quantenalgorithmik
Dewey Decimal Classification:0 Informatik, Informationswissenschaft, allgemeine Werke / 00 Informatik, Wissen, Systeme / 004 Datenverarbeitung; Informatik
Licence (German):CC-BY 3.0: Creative Commons - Namensnennung