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Gradient Echo Quantum Memory in Warm Atomic Vapor
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Variational Quantum Eigensolver Boosted by Adiabatic Connection.

Mikuláš Matoušek1,2, Katarzyna Pernal3, Fabijan Pavošević4

  • 1J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, v.v.i., Dolejškova 3, 18223 Prague 8, Czech Republic.

The Journal of Physical Chemistry. A
|January 12, 2024
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Summary
This summary is machine-generated.

We combined the variational quantum eigensolver (VQE) with adiabatic connection (AC) to improve quantum chemistry simulations. This hybrid approach significantly enhances VQE performance for complex chemical problems on near-term quantum computers.

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Area of Science:

  • Quantum computing
  • Computational chemistry
  • Quantum algorithms

Background:

  • Near-term quantum computers require efficient algorithms for chemical simulations.
  • Strong electron correlation poses a significant challenge for existing quantum methods.
  • Variational Quantum Eigensolver (VQE) shows promise but needs enhancement for complex systems.

Purpose of the Study:

  • To develop an enhanced quantum algorithm for chemical simulations.
  • To improve the accuracy and efficiency of VQE for strongly correlated systems.
  • To leverage classical computational methods to augment quantum approaches.

Main Methods:

  • Integration of the variational quantum eigensolver (VQE) with the adiabatic connection (AC) method.
  • Utilization of orbital-optimized VQE to address strong correlation within an active space.
  • Application of classical AC corrections to account for dynamical correlation outside the active space.

Main Results:

  • The combined VQE-AC approach demonstrated a dramatic enhancement in performance compared to VQE alone.
  • Successful application to challenging strongly correlated systems: N2 dissociation and tetramethyleneethane biradical.
  • AC corrections were found to boost VQE performance without increasing quantum resource demands.

Conclusions:

  • The VQE-AC hybrid method offers a significant improvement for quantum simulations of chemical problems.
  • This approach is particularly effective for strongly correlated electronic structures.
  • The VQE-AC method paves the way for practical quantum simulations on near-term quantum devices.