![]() (b) Mathematica does not have a reputation for numerical efficiency: benchmark speed comparisons of SpinDynamica with other computational packages such as SIMPSON,( 4) SPINEVOLUTION,( 5) or SPINACH( 6) are likely to prove embarrassing for proponents of SpinDynamica. The SpinDynamica code itself, on the other hand, is free and open‐source. This is an unavoidable problem that is only partially alleviated by the patchy availability of university site licenses. (a) Mathematica is commercial software with a hefty license fee for single users. The choice of Mathematica as a platform does come with disadvantages. ![]() ![]() Furthermore, the pattern‐based and modular “philosophy” of Mathematica, as advanced by Wolfram's ambitious book A New Kind of Science,( 3) does suit the field of magnetic resonance rather well. Since the programmers are not experts in numerical mathematics or in system software and have insufficient resources for extensive software maintenance, this is a very important advantage. The main advantages are the platform‐independence, seamless access to an enormous range of other functions and packages, a relatively high level of future‐proofing against upgrades in the system and Mathematica software and other features of the computational environment, without direct intervention from the SpinDynamica programmers themselves. The use of Mathematica has advantages and disadvantages. The central aim of SpinDynamica may be summarized as follows: “If you can write down the Hamiltonian (or the relaxation superoperator) of a spin system, in the form of an equation, then you can simulate the experiment.” The user community may judge how well this central aim has been satisfied, so far. SpinDynamica grew out of some early Mathematica routines programmed by Levitt to support the theoretical elements of his textbook Spin Dynamics: Basics of Nuclear Magnetic Resonance.( 2) Since then, it has grown in ambition, generality, and power-although at a slow pace, limited by the time available for what is essentially a side project. SpinDynamica provides a palette of “toolbox”‐like routines, which may be deployed by the magnetic resonance research community, as well as a small number of powerful “top‐level” routines, which allow common classes of spin dynamical computations to be performed with minimal user preparation. SpinDynamica takes immediate advantage of the Mathematica environment (programmability, generality, platform‐independence, access to a wide range of mathematical, statistical and graphical tools, etc.). Levitt, with relatively minor contributions by Andreas Brinkmann, Jyrki Rantaharju, and Soumya Singha Roy, and recent substantial coding by Christian Bengs. SpinDynamica is a computational system for (mainly nuclear) spin dynamics within Mathematica, programmed mainly by Malcolm H. It is also platform‐independent to a high degree. Mathematica is a symbolic computational system, which was launched in 1998 and has grown into a highly successful and widely used computational platform in numerous scientific fields, including mathematics, engineering, physics, design, statistics, and geography.( 1) It is a very general “high‐level” system that supports a wide range of user expertise and provides seamless access to expert numerical and symbolic algorithms, graphical and animation tools, and specialized software packages.
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