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A new Mukai QUBO solver significantly outperforms D-Wave's Ocean qbsolv for quantum computing problems. This quantum annealing software advancement offers more accurate energy calculations for electronic structure problems.

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Area of Science:

  • Quantum Computing
  • Computational Chemistry
  • Heuristic Algorithms

Background:

  • D-Wave quantum annealers have limited qubit connectivity, necessitating problem decomposition for complex tasks.
  • Heuristic software like qbsolv breaks down large Quadratic Unconstrained Binary Optimization (QUBO) problems for quantum annealers.
  • Efficient QUBO solvers are crucial for leveraging quantum annealing capabilities.

Purpose of the Study:

  • To compare the performance of D-Wave's open-source qbsolv with Quantum Computing Inc.'s (QCI) Mukai QUBO solver.
  • To evaluate these solvers for solving electronic structure problems using quantum annealing.
  • To assess the accuracy and efficiency of different QUBO decomposition strategies.

Main Methods:

  • Utilized the Quantum Annealer Eigensolver to map electronic structure problems to QUBO.
  • Implemented both qbsolv (D-Wave Ocean tools) and Mukai QUBO solver in classical mode using Tabu search.
  • Compared solver performance on ground and excited state electronic structure calculations.

Main Results:

  • The Mukai QUBO solver demonstrated superior performance compared to Ocean qbsolv.
  • Mukai solver achieved one to two orders of magnitude more accurate energy calculations across all tested electronic structure problems.
  • The findings highlight significant improvements in QUBO solving for quantum annealing applications.

Conclusions:

  • The Mukai QUBO solver represents a substantial advancement over existing D-Wave Ocean tools for electronic structure calculations.
  • This enhanced solver accuracy can accelerate the application of quantum annealers in computational chemistry and materials science.
  • Further development of specialized QUBO software is essential for maximizing the potential of quantum annealers.