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A Stabilizer Framework for the Contextual Subspace Variational Quantum Eigensolver and the Noncontextual Projection

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We introduce a new method for quantum chemistry on noisy quantum devices. This approach reduces computational cost for accurate ground state energy calculations, making quantum computing more practical for chemistry.

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Area of Science:

  • Quantum Computing
  • Computational Chemistry
  • Quantum Algorithms

Background:

  • Noisy Intermediate-Scale Quantum (NISQ) devices show promise for quantum chemistry applications.
  • Current quantum computers struggle with scientifically significant problems due to algorithmic limitations.
  • Variational Quantum Eigensolver (VQE) is a key algorithm for NISQ devices.

Purpose of the Study:

  • To address challenges in implementing Contextual Subspace Variational Quantum Eigensolver (CS-VQE) on NISQ devices.
  • To develop an effective ansatz strategy for CS-VQE by addressing Hamiltonian partitioning.
  • To enable precise ground state energy calculations for molecules using quantum computers.

Main Methods:

  • Partitioning the molecular Hamiltonian into noncontextual (classical) and contextual (quantum) components.
  • Developing a "noncontextual projection" ansatz strategy for CS-VQE.
  • Reformulating CS-VQE within the stabilizer formalism for ansatz restriction.
  • Utilizing quantum simulators for validation.

Main Results:

  • Demonstrated a novel ansatz approach for CS-VQE compatible with NISQ devices.
  • Achieved chemically precise ground state energy calculations for small molecules.
  • Significantly reduced qubit count and circuit depth requirements.

Conclusions:

  • The proposed noncontextual projection ansatz facilitates practical CS-VQE implementation on NISQ hardware.
  • This method enhances the feasibility of using quantum computers for accurate molecular energy calculations.
  • The approach offers a pathway to leverage NISQ devices for real-world scientific problems in chemistry.