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Exploiting Locality in Quantum Computation for Quantum Chemistry.

Jarrod R McClean1, Ryan Babbush1, Peter J Love2

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Quantum computing offers accurate chemical predictions, but with high overhead. Combining spatial locality and the Bravyi-Kitaev transformation improves quantum algorithms for quantum chemistry, enhancing future prospects.

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Area of Science:

  • Quantum Chemistry
  • Quantum Computation
  • Computational Materials Science

Background:

  • Predicting chemical and material properties from first-principles quantum chemistry is computationally intensive for classical computers.
  • Quantum computation promises high accuracy but currently involves significant overhead.

Purpose of the Study:

  • To integrate insights from quantum chemistry's physical interaction locality with quantum computation.
  • To enhance the efficiency of quantum algorithms for quantum chemistry applications.

Main Methods:

  • Leveraging the concept of spatial locality in quantum chemistry.
  • Applying the Bravyi-Kitaev transformation within quantum algorithms.
  • Developing and illustrating improved quantum algorithms with numerical examples.

Main Results:

  • Demonstrated improvement in the scaling of quantum algorithms for quantum chemistry by utilizing spatial locality.
  • The combination of spatial locality and the Bravyi-Kitaev transformation offers a more efficient approach.
  • Numerical examples validate the enhanced performance of the proposed methods.

Conclusions:

  • The integration of spatial locality and the Bravyi-Kitaev transformation significantly improves the efficiency of quantum algorithms for quantum chemistry.
  • These advancements offer a more promising outlook for the application of quantum computing in chemistry and materials science.
  • Future quantum chemistry computations on quantum computers are expected to be more feasible and accurate.