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

doi:10.1016/j.jmr.2010.11.008

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 journal › Article › peer-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 language	English
Pages (from-to)	179-194
Number of pages	16
Journal	JOURNAL OF MAGNETIC RESONANCE
Volume	208
Issue number	2
DOIs	https://doi.org/10.1016/j.jmr.2010.11.008
State	Published - Feb 2011
Externally published	Yes

All Science Journal Classification (ASJC) codes

Biophysics
Biochemistry
Nuclear and High Energy Physics
Condensed Matter Physics

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10.1016/j.jmr.2010.11.008

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title = "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.",

author = "Hogben, {H. J.} and M. Krzystyniak and Charnock, {G. T.P.} and Hore, {P. J.} and Ilya Kuprov",

year = "2011",

month = feb,

doi = "10.1016/j.jmr.2010.11.008",

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volume = "208",

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AU - Krzystyniak, M.

AU - Charnock, G. T.P.

AU - Hore, P. J.

AU - Kuprov, Ilya

PY - 2011/2

Y1 - 2011/2

N2 - 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.

AB - 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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DO - 10.1016/j.jmr.2010.11.008

M3 - مقالة

C2 - 21169043

SN - 1090-7807

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JO - JOURNAL OF MAGNETIC RESONANCE

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ER -

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

Abstract

All Science Journal Classification (ASJC) codes

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