Spinach - A software library for simulation of spin dynamics in large spin systems

H. J. Hogben, M. Krzystyniak, G. T.P. Charnock, P. J. Hore, Ilya Kuprov

Research output: Contribution to journalArticlepeer-review

Abstract

We introduce a software library incorporating our recent research into efficient simulation algorithms for large spin systems. Liouville space simulations (including symmetry, relaxation and chemical kinetics) of most liquid-state NMR experiments on 40+ spin systems can now be performed without effort on a desktop workstation. Much progress has also been made with improving the efficiency of ESR, solid state NMR and Spin Chemistry simulations. Spinach is available for download at http://spindynamics.org.

Original languageEnglish
Pages (from-to)179-194
Number of pages16
JournalJOURNAL OF MAGNETIC RESONANCE
Volume208
Issue number2
DOIs
StatePublished - Feb 2011
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Biophysics
  • Biochemistry
  • Nuclear and High Energy Physics
  • Condensed Matter Physics

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