Nottingham DNP MAS NMR Facility
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DNP groups from around the world

 

Useful Packages for DNP/ssNMR Simulation

 

  • Simpson: Simpson is an open source simulation package for emulating experiments in both solution and solid-state NMR. It allows users to feed in the relevant interaction parameters for a NMR experiment, along with the coding of the pulse sequence, which is coded in TCl/Tk, and simulates the resulting experiment. The user then has the option to look at the observable or relevant operators. Developed and maintained at the Arhus University.
  • SpinEvolution: Spinevolution was developed by the Griffin group and is currently maintained by Dr. Mikhail Veshtort.  It has been developed in an high level of API, where the scripting language is TCl, but the user requires no knowledge of the programming language. The programme utilises Chebyshev expansion of the propagators and thereby uses sparse matrix algorithms and is know to be very fast in simulation of NMR experiments.
  • Spinach: Based on MATLAB, spinach has been developed by Dr. Ilea Kuporov's group in University of Southampton. Spinach is an open-source spin dynamics simulation library which provides library for  NMR, EPR, DNP, MAS, Optimal Control, PHIP, singlet state NMR and other forms of Magnetic Resonance spectroscopy.
  • Easyspin: EasySpin is a MATLAB toolbox for simulating Electron Paramagnetic Resonance (EPR) spectra. Details and the MATLAB libraries are available for download at the respective site.
  • Spindynamica: Spindynamica is a set of packages developed by Prof. Malcolm Levitt. It has been written in Mathematica. It is intended to be useful for analytical and numerical calculations in spin physics related to experiments in magnetic resonance form of spectroscopy.

 

Nottingham DNP MAS NMR Facility

Sir Peter Mansfield Magnetic Resonance Centre
University Park
Nottingham, NG7 2RD

telephone: +44 (0) 115 9514747
fax: +44 (0) 115 9515166
email: spmmrc@nottingham.ac.uk