SpinDynamica 3.3.2 has been released. Eigenbasis now takes TargetBasis as an optional argument. The calculated Eigenbasis and TargetBasis are aligned as closely as possible. This is useful for controlling the ordering of the basis kets in the Eigenbasis and also for adiabatic calculations. Some bug fixes and speed improvements to the basis construction of spins with …

SpinDynamica 3.3.1 has been released. –The recent SpinDynamica update introduced some problems with WignerD. This bug has been fixed now. –The functionality of CorrelatedEigensystems has been extended. CorrelatedEigensystems now supports Liouvillians and arbitrary sets of matrices. –The usage messages for CorrelatedEigensystems and Adiabatic routines were not informative enough. The usage messages have been expanded and explicit examples are now given. …

SpinDynamica 3.2.1 has been released. -SpinDynamica now allows for a user specified level of error-trapping via UserLevel. A high degeree of error trapping tends to slow down execution speed. UserLevel may be used to reduce the amount of error trapping leading to improved execution speed for some routines. -SpinDynamica now contains the new routine MaximizeTransformationAmplitude. MaximizeTransformationAmplitude may be …

SpinDynamica 3.1.0 has been released. A couple of new features have been added to the new version of SpinDynamica. -SpinDynamica now supports dedicated routines for the analysis of adiabatic transformations: 1. CorrelatedEigensystems – This new routine allows the analysis of the correlation between spin-states and the corresponding change in eigenvalues as a function of the adiabatic …

Welcome to Christian Bengs who has taken over administration over this site. Christian has already done a lot of excellent coding as part of our new release of SpinDynamica (v3.0.1) and our first SpinDynamica publication. It’s great to have his help! So many thanks to Christian, and enjoy the new version of SpinDynamica! Malcolm

Our first article on SpinDynamica has just been accepted for publication: DOI 10.1002/mrc.4642 Thanks to Christian Bengs for helping write this article! Please cite this article if you published results obtained with SpinDynamica!

The latest release of SpinDynamica (2.14.3) is compatible with Mathematica 11. Lower versions are not compatible with Mathematica 11. See Downloads

The attached code may be used for simple 2D simulations using SpinDynamica. It is not completely general but should do for many purposes. More general code will be included in SpinDynamica in future. This example has also been posted on the forum, where you may also post responses.               …

SpinDynamica is used to treat the relaxation of long-lived singlet order in monodeuterated methyl groups and uses an effective CH2D geometry to explain experimentally observed results. Download the paper and the SpinDynamica notebook.

The new symbol PolarizationOperator may be used to calculate the polarization level of a spin ensemble and has been posted as an Add-On: http://www.spindynamica.soton.ac.uk/polarizationoperator/

On request, the popular Mathematica code CandRsymmetries has been resurrected as a new SpinDynamica add-on called SymmetryBasedRecouplingAnalysis. It may be found under AddOns or here.

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