Calculating Energies in the Contextual Subspace

ORAL

Abstract

The contextual subspace variational quantum eigensolver (CS-VQE) is a hybrid quantum-classical algorithm that approximates the ground-state energy of a given qubit Hamiltonian. It achieves this by separating the Hamiltonian into contextual and noncontextual parts. The ground-state energy is approximated by classically solving the noncontextual problem, followed by solving the contextual problem using VQE, constrained by the noncontextual solution. In general, computation of the contextual correction needs fewer qubits and measurements compared with solving the full Hamiltonian via traditional VQE. We showcase the CS-VQE algorithm and present different improvements to the method.

Publication: Alexis Ralli, Tim Weaving, Andrew Tranter, William M. Kirby, Peter J. Love, and Peter V. Coveney, Phys. Rev. Research 5, 013095

Tim Weaving, Alexis Ralli, William M. Kirby, Andrew Tranter, Peter J. Love, and Peter V. Coveney Journal of Chemical Theory and Computation 2023 19 (3), 808-821

Presenters

  • Alexis P Ralli

    Tufts University

Authors

  • Alexis P Ralli

    Tufts University

  • Tim Weaving

    University College London

  • William M Kirby

    IBM

  • Andrew Tranter

    Quantinuum Ltd., Quantinuum

  • Peter V Coveney

    University College London

  • Peter J Love

    Tufts University