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

J Magn Reson

Physical and Theoretical Chemistry Laboratory, Chemistry Department, University of Oxford, South Parks Road, Oxford OX1 3QZ, UK.

Published: February 2011

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.

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Source
http://dx.doi.org/10.1016/j.jmr.2010.11.008DOI Listing

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