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

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