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The University of Southampton
Chemistry

Research project: Kuprov: Quantum mechanical simulation of magnetic resonance imaging

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We have recently solved the quantum mechanical MRI simulation problem (publication). Previously, MRI simulation software could not account for quantum effects because the calculations produced astronomically sized matrices that computers could not handle: a 3D sample with a common metabolite in each voxel required terabytes of memory.

Within this project, we are designing algorithms and software that run quantum mechanical spin dynamics, alongside three-dimensional diffusion, flow, and kinetics, in a matter of minutes. The results have fundamental significance in magnetic resonance imaging, where detailed theoretical modelling and optimisation are now becoming possible.

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