Articles | Volume 7, issue 1
https://doi.org/10.5194/mr-7-53-2026
© Author(s) 2026. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/mr-7-53-2026
© Author(s) 2026. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
21 May 2026
Research article |
| 21 May 2026
| 21 May 2026
Scalable modeling of multi-spin ensembles in SABRE hyperpolarization: a symmetry-based framework for zero and ultralow fields
International Tomography Center SB RAS, Institutskaya 3a, Novosibirsk, 630090, Russia
Alexander Snadin
International Tomography Center SB RAS, Institutskaya 3a, Novosibirsk, 630090, Russia
Alexey Kiryutin
International Tomography Center SB RAS, Institutskaya 3a, Novosibirsk, 630090, Russia
Danila Barskiy
Frost Institute for Chemistry and Molecular Science, Department of Chemistry, University of Miami, Coral Gables, FL 33146, USA
International Tomography Center SB RAS, Institutskaya 3a, Novosibirsk, 630090, Russia
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Alexandra Yurkovskaya and Geoffrey Bodenhausen
Magn. Reson., 2, 341–342, https://doi.org/10.5194/mr-2-341-2021, https://doi.org/10.5194/mr-2-341-2021, 2021
Short summary
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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.
We present a framework to simulate nuclear magnetic resonance (NMR) signal enhancement...
