Aug 15

Mathematica 11 issues and SpinDynamica 2.14.3

The latest release of SpinDynamica (2.14.3) is compatible with Mathematica 11.

Lower versions are not compatible with Mathematica 11.

See Downloads

Jul 28

2D spectra

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. Simple2Dspectra

 

 

 

 

 

 

 

 

 

 

 

executable notebook here: Simple2Dspectra

 

Jul 26

LLS relaxation in CH2D groups

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.

Mar 18

PolarizationOperator

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/

Mar 10

SymmetryBasedRecouplingAnalysis

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.

Feb 08

SpinDynamica 2.14.2 released

SpinDynamica v2.14.2 has been released. See downloads

 

Feb 05

SpinDynamica on Wolfram Blog

CompositePulseAnimationFrameQ & A with Malcolm Levitt on Wolfram Blog: here

Jan 19

SpinDynamica used for parahydrogen simulations

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

Jan 16

Spin-3/2 spin dynamics

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.

 

Dynamics of spin-3/2 state populations under a cosine-modulated rf pulse

Dynamics of spin-3/2 state populations under a cosine-modulated rf pulse

Sep 19

Spectrum of 133Cs in an inhomogeneous gel

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. 133Cs

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