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Area of Science:

  • Quantum computing
  • Materials science
  • Solid-state physics

Background:

  • Classical computers face limitations in simulating complex quantum systems and materials.
  • Quantum computers promise significant advancements in computational efficiency for quantum simulations.
  • Solid materials with spin defects are crucial for developing quantum technologies.

Purpose of the Study:

  • To discuss computational frameworks for electronic structure calculations on noisy intermediate-scale quantum computers.
  • To explore the application of embedding theories for solid materials hosting spin defects.
  • To assess the potential of quantum simulations for realistic material systems.

Main Methods:

  • Utilizing embedding theories within computational frameworks.
  • Performing electronic structure calculations on noisy intermediate-scale quantum computers.
  • Focusing on solid materials with spin defects as a case study.

Main Results:

  • Demonstrated computational frameworks for quantum simulations of solids.
  • Provided examples for solid materials hosting spin defects.
  • Indicated that promising results for realistic systems are achievable with current quantum architectures.

Conclusions:

  • Quantum simulations on noisy intermediate-scale quantum computers are feasible for complex material systems.
  • Embedding theories offer a viable approach for electronic structure calculations in quantum simulations.
  • Solid materials with spin defects are key candidates for advancing quantum technologies.