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Steered quantum dynamics for energy minimization.

Micheline Soley1, Andreas Markmann, Victor S Batista

  • 1Department of Chemistry, Yale University , P.O. Box 208107, New Haven, Connecticut 06520-8107, United States.

The Journal of Physical Chemistry. B
|August 15, 2014
PubMed
Summary
This summary is machine-generated.

We developed a quantum optimal control algorithm combining D-MORPH gradient and BFGS for efficient energy minimization. This method avoids local minima, finding global energy states in complex systems.

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Area of Science:

  • Quantum control
  • Nonlinear optimization
  • Computational physics

Background:

  • Energy minimization is crucial in quantum systems.
  • Trapping in local minima hinders finding global energy states.
  • Existing methods for quantum annealing have limitations.

Purpose of the Study:

  • Introduce a novel quantum optimal control algorithm for energy minimization.
  • Develop a method to steer quantum systems to global energy minima.
  • Test the algorithm's efficacy on complex potential energy surfaces.

Main Methods:

  • Combined diffeomorphic modulation under observable response preserving homotopy (D-MORPH) gradient with Broyden Fletcher Goldfarb Shanno (BFGS) optimization.
  • Optimized time-dependent controls: mass, dipole moment, and external field.
  • Applied the algorithm to rugged and golf potential energy landscapes.

Main Results:

  • Successfully steered quantum system dynamics towards global energy minima.
  • Demonstrated avoidance of local minima traps.
  • Algorithm performance comparable to quantum annealing benchmarks.

Conclusions:

  • The D-MORPH-BFGS algorithm offers an effective approach for quantum energy minimization.
  • This method provides a robust way to navigate complex potential energy surfaces.
  • The algorithm shows promise for applications in quantum computing and materials science.