SpinDynamica v2.12.2 has been released. See downloads. Extension of NormalizeOperator. See part 3 of documentation. Important bug fix to COMPUTE algorithm of Signal1D. Other minor bug fixes.  

Q & A with Malcolm Levitt on Wolfram Blog: here

In a recently accepted JACS paper, Russ Bowers and co-workers investigate parahydrogen reactions on nanoparticles, using 6-spin-1/2 SpinDynamica simulations. See: http://pubs.acs.org/doi/abs/10.1021/ja511476n

This example file illustrates the spin dynamics of a spin-3/2 system in the presence of weak and strong rf fields. Selective manipulations of the central and satellite transitions are illustrated, including the use of cosine-modulated fields to excite the satellite transitions. Download here: SpinThreeHalfDynamics or here.  

The routine EnsembleAverage may be used to generate arbitrary distributions of nuclear spin interactions. In an example posted on the forum, I used EnsembleAverage to generate the spectrum of 133Cs (I=7/2) in an inhomogeneous gel. The same notebook includes a simulation of quadrupolar echoes in spin-7/2 with curious fractional timings.

At the present time, the case of spin systems experiencing chemical exchange cannot be handled entirely within the architecture of SpinDynamica. However, it is possible to build upon SpinDynamica to handle chemical exchange. I have posted an example file on the forum showing how to simulate an AB spin system of two spins-1/2 experiencing chemical …

A SpinDynamica demonstration of single-scan 2D spectroscopy using a spatial encoding of the spin interaction. Routines used: Signal1D, EnsembleAverage, ShapeFunction Programmed by Dr. Jean-Nicolas Dumez Attached File : ufcosy.nb

SpinDynamica code for the interactive visualization of Euler angles is available here: EulerVisualization

A notebook for producing 3D animations of composite pulses is available here: https://www.dropbox.com/s/yam19kdjo8qtwva/CompositePulseAnimation.nb The plot shown is a single frame from one such animation.

DeVience, Walsworth and Rosen have used SpinDynamica to develop a new method for generating long-lived nuclear singlet order, and to plot the trajectories of the spin operators during the pulse sequence. See http://arxiv.org/abs/1307.0832

Andreas Brinkmann has used SpinDynamica to simulate 14N overtone NMR. See http://dx.doi.org/10.1063/1.4775592

    Download the code here: RelaxationAndPrecession.nb

SpinDynamica code: Pake.nb

Visit our SpinDynamics Forum for more examples.

SpinDynamica is a set of packages for Mathematica, programmed by Malcolm Levitt and others. Our research group uses these routines extensively to explore magnetic resonance concepts and develop new experimental methods.