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Large-scale sparse wave function circuit simulator for applications with the variational quantum eigensolver.

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Classical computers can optimize quantum circuits for simulating physical systems, overcoming challenges with large-scale circuit optimization. This approach bridges high-performance computing with quantum advantage, enabling near-term quantum hardware exploration.

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Area of Science:

  • Quantum Computing
  • Computational Physics
  • Computational Chemistry

Background:

  • Parameterized quantum circuits are standard for near-term quantum simulations.
  • Optimizing large quantum circuits is computationally challenging.
  • The utility of large-scale circuit optimization remains largely unknown.

Purpose of the Study:

  • To demonstrate classical optimization of quantum circuits for physical system simulations.
  • To explore the potential of bridging classical high-performance computing with quantum advantage.
  • To investigate the benefits of variational optimization on near-term quantum hardware.

Main Methods:

  • Development and application of sparse wave function circuit solvers.
  • Utilizing purely classical resources for approximate yet robust quantum circuit optimization.
  • Testing with a unitary coupled cluster ansatz on molecules up to 64 qubits.

Main Results:

  • Demonstrated a region of efficient classical simulation for quantum circuits.
  • Showcased a method to avoid optimization problems in circuits with hundreds of qubits.
  • Successfully applied the method to molecules with up to 64 qubits and tens of thousands of parameters.

Conclusions:

  • Classical resources can effectively optimize quantum circuits, enabling exploration of near-term quantum hardware.
  • Sparse wave function circuit solvers provide a pathway to quantum advantage.
  • This work clarifies the benefits of variational optimization for physical system simulations on quantum computers.