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 |
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Pages (from-to) | 179-194 |
Number of pages | 16 |
Journal | JOURNAL OF MAGNETIC RESONANCE |
Volume | 208 |
Issue number | 2 |
DOIs | |
State | Published - Feb 2011 |
Externally published | Yes |
All Science Journal Classification (ASJC) codes
- Biophysics
- Biochemistry
- Nuclear and High Energy Physics
- Condensed Matter Physics