Decomposition of unitary matrices for finding quantum circuits: Application to molecular Hamiltonians

Anmer Daskin, Sabre Kais

Research output: Contribution to journalArticle

29 Citations (Scopus)

Abstract

Constructing appropriate unitary matrix operators for new quantum algorithms and finding the minimum cost gate sequences for the implementation of these unitary operators is of fundamental importance in the field of quantum information and quantum computation. Evolution of quantum circuits faces two major challenges: complex and huge search space and the high costs of simulating quantum circuits on classical computers. Here, we use the group leaders optimization algorithm to decompose a given unitary matrix into a proper-minimum cost quantum gate sequence. We test the method on the known decompositions of Toffoli gate, the amplification step of the Grover search algorithm, the quantum Fourier transform, and the sender part of the quantum teleportation. Using this procedure, we present the circuit designs for the simulation of the unitary propagators of the Hamiltonians for the hydrogen and the water molecules. The approach is general and can be applied to generate the sequence of quantum gates for larger molecular systems.

Original languageEnglish
Article number144112
JournalJournal of Chemical Physics
Volume134
Issue number14
DOIs
Publication statusPublished - 14 Apr 2011
Externally publishedYes

Fingerprint

Hamiltonians
Decomposition
decomposition
Networks (circuits)
costs
Costs
Quantum computers
operators
Amplification
Mathematical operators
Hydrogen
Fourier transforms
quantum computation
Molecules
Water
optimization
propagation
hydrogen
water
molecules

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Decomposition of unitary matrices for finding quantum circuits : Application to molecular Hamiltonians. / Daskin, Anmer; Kais, Sabre.

In: Journal of Chemical Physics, Vol. 134, No. 14, 144112, 14.04.2011.

Research output: Contribution to journalArticle

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