Second Order Gradient Ascent Pulse Engineering

J Magn Reson. 2011 Oct;212(2):412-7. doi: 10.1016/j.jmr.2011.07.023. Epub 2011 Aug 4.


We report some improvements to the gradient ascent pulse engineering (GRAPE) algorithm for optimal control of spin ensembles and other quantum systems. These include more accurate gradients, convergence acceleration using the Broyden-Fletcher-Goldfarb-Shanno (BFGS) quasi-Newton algorithm as well as faster control derivative calculation algorithms. In all test systems, the wall clock time and the convergence rates show a considerable improvement over the approximate gradient ascent.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Algorithms*
  • Data Interpretation, Statistical
  • Electron Spin Resonance Spectroscopy / methods*
  • Neural Networks, Computer
  • Quantum Theory
  • Software
  • Spin Labels


  • Spin Labels