Preserving Symmetries for Variational Quantum Eigensolvers in the Presence of Noise

George S. Barron, Bryan T. Gard, Orien J. Altman, Nicholas J. Mayhall, Edwin Barnes, and Sophia E. Economou
Phys. Rev. Applied 16, 034003 – Published 1 September 2021

Abstract

One of the most promising applications of noisy intermediate-scale quantum computers is the simulation of molecular Hamiltonians using the variational quantum eigensolver (VQE). We show that encoding symmetries of the simulated Hamiltonian in the VQE ansatz reduces both classical and quantum resources compared to other widely available ansatze. Through simulations of the H2 molecule and of a Heisenberg model on a two-dimensional lattice, we verify that these improvements persist in the presence of noise. This is done using both real IBM devices and classical simulations. We also demonstrate how these techniques can be used to find molecular excited states of various symmetries using a noisy processor. We use error-mitigation techniques to further improve the quality of our results.

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  • Received 8 March 2021
  • Accepted 30 July 2021

DOI:https://doi.org/10.1103/PhysRevApplied.16.034003

© 2021 American Physical Society

Physics Subject Headings (PhySH)

Quantum Information, Science & Technology

Authors & Affiliations

George S. Barron1,*, Bryan T. Gard1, Orien J. Altman1, Nicholas J. Mayhall2, Edwin Barnes1, and Sophia E. Economou1

  • 1Department of Physics, Virginia Tech, Blacksburg, Virginia 24061, USA
  • 2Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, USA

  • *gbarron@vt.edu

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Vol. 16, Iss. 3 — September 2021

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