Extended computational kernels in a massively parallel implementation of the Trotter–Suzuki approximation

Published: 01-01-2015| Version 1 | DOI: 10.17632/fmfz9hgy5z.1
Peter Wittek,
Luca Calderaro


This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract We extended a parallel and distributed implementation of the Trotter–Suzuki algorithm for simulating quantum systems to study a wider range of physical problems and to make the library easier to use. The new release allows periodic boundary conditions, many-body simulations of non-interacting particles, arbitrary stationary potential functions, and imaginary time evolution to approximate the ground state energy. The new release is more resilient to the computational environment: a wider range... Title of program: Trotter-Suzuki-MPI Catalogue Id: AEXL_v1_0 Nature of problem The evolution of a general quantum system is described by the time-dependent Schrödinger equation. The solution of this equation involves calculating a matrix exponential, which is formally simple, but computer implementations must con- sider several factors to achieve both high performance and high accuracy. Versions of this program held in the CPC repository in Mendeley Data AEXL_v1_0; Trotter-Suzuki-MPI; 10.1016/j.cpc.2015.07.017