PyCTQW: a continuous-time quantum walk simulator on distributed memory computers

Josh A. Izaac*, Jingbo B. Wang

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

12 Citations (Scopus)


In the general field of quantum information and computation, quantum walks are playing an increasingly important role in constructing physical models and quantum algorithms. We have recently developed a distributed memory software package pyCTQW, with an object-oriented Python interface, that allows efficient simulation of large multi-particle CTQW (continuous-time quantum walk)-based systems. In this paper, we present an introduction to the Python and Fortran interfaces of pyCTQW, discuss various numerical methods of calculating the matrix exponential, and demonstrate the performance behavior of pyCTQW on a distributed memory cluster. In particular, the Chebyshev and Krylov-subspace methods for calculating the quantum walk propagation are provided, as well as methods for visualization and data analysis.

Original languageEnglish
Pages (from-to)81-92
Number of pages12
JournalComputer Physics Communications
Publication statusPublished - Jan 2015
Externally publishedYes


  • chebyshev matrix expansion
  • continuous-time quantum walk
  • krylov subspace method
  • multiple walkers
  • padé approximant


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