Non-contextual Quantum Chemistry

ORAL

Abstract

Abstract: Quantum Chemistry is a leading future application of quantum computing. Competition between classical and quantum computing approaches to quantum chemistry poses the question: What quantum resources are required to simulate quantum chemistry? How do these resources correspond to chemical notions such as multi-configuration character or correlation? I will describe non-contextual Hamiltonians that have been previously used to give a hybrid VQE algorithm, Contextual Subspace VQE. I will describe the properties of these Hamiltonians and their relation to chemical approximations such as Hartree-Fock, and to measures of non-stabilizerness such as Magic. I will also discuss the prospect for algorithms that exploit the contextual/noncontextual division beyond NISQ.

*We acknowledge support by the NSF STAQ project (PHY-1818914/232580)

Publication: Noncontextual Pauli Hamiltonians, Alexis Ralli et al 2025 J. Phys. A: Math. Theor. 58 335301
DOI 10.1088/1751-8121/adf677

Presenters

  • Peter J Love

    • Tufts University

Authors

  • Peter J Love

    • Tufts University
  • Alexis Ralli

    • QMatter
    • QMatter, Inc.
  • Timothy Weaving

    • QMatter, Inc.