Variational quantum eigensolver with reduced circuit complexity

Zhang, Yu; Cincio, Lukasz; Negre, Christian F. A.; Czarnik, Piotr; Coles, Patrick J.; Anisimov, Petr M.; Mniszewski, Susan M.; Tretiak, Sergei; Dub, Pavel A.

doi:10.1038/s41534-022-00599-z

Title: Variational quantum eigensolver with reduced circuit complexity

Journal Article · 11 August 2022 · npj Quantum Information

DOI: https://doi.org/10.1038/s41534-022-00599-z · OSTI ID:1881342

; Cincio, Lukasz; Negre, Christian F. A.; Czarnik, Piotr;

;

Abstract The variational quantum eigensolver (VQE) is one of the most promising algorithms to find eigenstates of a given Hamiltonian on noisy intermediate-scale quantum devices (NISQ). The practical realization is limited by the complexity of quantum circuits. Here we present an approach to reduce quantum circuit complexity in VQE for electronic structure calculations. Our ClusterVQE algorithm splits the initial qubit space into clusters which are further distributed on individual (shallower) quantum circuits. The clusters are obtained based on mutual information reflecting maximal entanglement between qubits, whereas inter-cluster correlation is taken into account via a new “dressed” Hamiltonian. ClusterVQE therefore allows exact simulation of the problem by using fewer qubits and shallower circuit depth at the cost of additional classical resources, making it a potential leader for quantum chemistry simulations on NISQ devices. Proof-of-principle demonstrations are presented for several molecular systems based on quantum simulators as well as IBM quantum devices.

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Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE; USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)

Grant/Contract Number:: 89233218CNA000001

OSTI ID:: 1881342

Report Number(s):: LA-UR-21-25349; 96; PII: 599

Journal Information:: npj Quantum Information, Journal Name: npj Quantum Information Journal Issue: 1 Vol. 8; ISSN 2056-6387

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United Kingdom

Language:: English

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