Fokker-Planck formalism in magnetic resonance simulations
Fokker-Planck formalism in magnetic resonance simulations
This paper presents an overview of the Fokker-Planck formalism for non-biological magnetic resonance simulations, describes its existing applications and proposes some novel ones. The most attractive feature of Fokker-Planck theory compared to the commonly used Liouville - von Neumann equation is that, for all relevant types of spatial dynamics (spinning, diffusion, stationary flow, etc.), the corresponding Fokker-Planck Hamiltonian is time-independent. Many difficult NMR, EPR and MRI simulation problems (multiple rotation NMR, ultrafast NMR, gradient-based zero-quantum filters, diffusion and flow NMR, off-resonance soft microwave pulses in EPR, spin-spin coupling effects in MRI, etc.) are simplified significantly in Fokker-Planck space. The paper also summarises the author’s experiences with writing and using the corresponding modules of the Spinach library – the methods described below have enabled a large variety of simulations previously considered too complicated for routine practical use.
124-135
Kuprov, Ilya
bb07f28a-5038-4524-8146-e3fc8344c065
September 2016
Kuprov, Ilya
bb07f28a-5038-4524-8146-e3fc8344c065
Kuprov, Ilya
(2016)
Fokker-Planck formalism in magnetic resonance simulations.
Journal of Magnetic Resonance, 270, .
(doi:10.1016/j.jmr.2016.07.005).
Abstract
This paper presents an overview of the Fokker-Planck formalism for non-biological magnetic resonance simulations, describes its existing applications and proposes some novel ones. The most attractive feature of Fokker-Planck theory compared to the commonly used Liouville - von Neumann equation is that, for all relevant types of spatial dynamics (spinning, diffusion, stationary flow, etc.), the corresponding Fokker-Planck Hamiltonian is time-independent. Many difficult NMR, EPR and MRI simulation problems (multiple rotation NMR, ultrafast NMR, gradient-based zero-quantum filters, diffusion and flow NMR, off-resonance soft microwave pulses in EPR, spin-spin coupling effects in MRI, etc.) are simplified significantly in Fokker-Planck space. The paper also summarises the author’s experiences with writing and using the corresponding modules of the Spinach library – the methods described below have enabled a large variety of simulations previously considered too complicated for routine practical use.
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Accepted/In Press date: 11 July 2016
e-pub ahead of print date: 13 July 2016
Published date: September 2016
Organisations:
Computational Systems Chemistry, Magnetic Resonance
Identifiers
Local EPrints ID: 401751
URI: http://eprints.soton.ac.uk/id/eprint/401751
PURE UUID: 44479dbd-3db4-4c98-a702-4fdbdb7e6a65
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Date deposited: 20 Oct 2016 15:22
Last modified: 15 Mar 2024 03:43
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