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

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.
Publication status:
Published

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Publisher copy:
10.1016/j.jmr.2010.11.008

Authors


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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
Journal:
Journal of magnetic resonance (San Diego, Calif. : 1997) More from this journal
Volume:
208
Issue:
2
Pages:
179-194
Publication date:
2011-02-01
DOI:
EISSN:
1096-0856
ISSN:
1090-7807
Language:
English
Keywords:
Pubs id:
pubs:107059
UUID:
uuid:22010984-4a67-4c49-8ee9-78c4b1013aaa
Local pid:
pubs:107059
Source identifiers:
107059
Deposit date:
2012-12-19

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