SKRYN: A fast semismooth-Krylov–Newton method for controlling Ising spin systems

Abstract The modeling and control of Ising spin systems is of fundamental importance in NMR spectroscopy applications. In this paper, two computer packages, ReHaG and SKRYN, are presented. Their purpose is to set-up and solve quantum optimal control problems governed by the Liouville master equation modeling Ising spin- 1 2 systems with pointwise control constraints. In particular, the MATLAB package ReHaG allows to compute a real matrix representation of the master equation. The MATLAB package SKRYN ... Title of program: SKRYN, ReHaG Catalogue Id: AEVN_v1_0 Nature of problem Set-up and solution of quantum Ising spin-½ optimal control problems, for NMR spectroscopy applications. Versions of this program held in the CPC repository in Mendeley Data AEVN_v1_0; SKRYN, ReHaG; 10.1016/j.cpc.2015.01.006 AEVN_v1_0; SKRYN, ReHaG; 10.1016/j.cpc.2015.01.006 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)摘要：在核磁共振波谱学应用中，对伊辛自旋系统的建模与控制具有根本性的重要性。本文介绍了两款计算机软件包，ReHaG与SKRYN。它们旨在建立并解决受Liouville主方程建模的伊辛自旋-1/2系统，并具有点控约束的量子最优控制问题。特别是，MATLAB软件包ReHaG能够计算出主方程的实矩阵表示。MATLAB软件包SKRYN...