Articles | Volume 7, issue 1
https://doi.org/10.5194/mr-7-53-2026
https://doi.org/10.5194/mr-7-53-2026
Research article
 | 
21 May 2026
Research article |  | 21 May 2026

Scalable modeling of multi-spin ensembles in SABRE hyperpolarization: a symmetry-based framework for zero and ultralow fields

Danil Markelov, Alexander Snadin, Alexey Kiryutin, Danila Barskiy, and Alexandra Yurkovskaya

Model code and software

Scripts for scalable modeling of SABRE with zero-quantum projection Markelov Danil https://doi.org/10.5281/zenodo.18083297

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Short summary
We present a framework to simulate nuclear magnetic resonance (NMR) signal enhancement experiments using parahydrogen at ultralow magnetic fields. Our approach captures the full quantum evolution of the system while reducing computational complexity for multi-spin systems through symmetry-based dimensionality reduction. This enables efficient prediction of optimal polarization transfer fields and simulation of the resulting ultralow-field NMR spectra.
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