Simulated quantum computation of global minima

Jing Zhu, Zhen Huang, Sabre Kais

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

Finding the optimal solution to a complex optimisation problem is of great importance in practically all fields of science, technology, technical design and econometrics. We demonstrate that a modified Grover's quantum algorithm can be applied to real problems of finding a global minimum using modest numbers of quantum bits. Calculations of the global minimum of simple test functions and Lennard-Jones clusters have been carried out on a quantum computer simulator using a modified Grover's algorithm. The number of function evaluations N reduced from O(N) in classical simulation to O(N1/2) in quantum simulation. We also show how the Grover's quantum algorithm can be combined with the classical Pivot method for global optimisation to treat larger systems.

Original languageEnglish
Pages (from-to)2015-2023
Number of pages9
JournalMolecular Physics
Volume107
Issue number19
DOIs
Publication statusPublished - 1 Jun 2009
Externally publishedYes

Fingerprint

Quantum computers
quantum computation
econometrics
pivots
optimization
quantum computers
Function evaluation
Global optimization
simulators
simulation
Simulators
Technology
evaluation

Keywords

  • Clusters
  • Global optimisation
  • Grover's quantum algorithm
  • Pivot method
  • Quantum computation

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Condensed Matter Physics
  • Biophysics
  • Molecular Biology

Cite this

Simulated quantum computation of global minima. / Zhu, Jing; Huang, Zhen; Kais, Sabre.

In: Molecular Physics, Vol. 107, No. 19, 01.06.2009, p. 2015-2023.

Research output: Contribution to journalArticle

Zhu, Jing ; Huang, Zhen ; Kais, Sabre. / Simulated quantum computation of global minima. In: Molecular Physics. 2009 ; Vol. 107, No. 19. pp. 2015-2023.
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