2024/04/26 by Artemiy Burov, Burov, Artemiy, Oliver Nagl +3 · 3 citations
Chemistry · Computer Science · Physics and Astronomy · #Advanced NMR Techniques and Applications #FOS: Physical sciences #Quantum Computing Algorithms and Architecture #Quantum Physics (quant-ph) #Spectroscopy and Quantum Chemical Studies
paper · pdf · doi:10.48550/arxiv.2404.17548
openalex publication_date 2024/04/26 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
While the recent demonstration of accurate computations of classically intractable simulations on noisy quantum processors brings quantum advantage closer, there is still the challenge of demonstrating it for practical problems. Here we investigate the application of noisy intermediate-scale quantum devices for simulating nuclear magnetic resonance (NMR) experiments in the high-field regime. In this work, the NMR interactions are mapped to a quantum device via a product formula with minimal resource overhead, an approach that we discuss in detail. Using this approach, we show the results of simulations of liquid-state proton NMR spectra on relevant molecules with up to 11 spins, and up to a total of 47 atoms, and compare them with real NMR experiments. Despite current limitations, we show that a similar approach will eventually lead to a case of quantum utility, a scenario where a practically relevant computational problem can be solved by a quantum computer but not by conventional means. We provide an experimental estimation of the amount of quantum resources needed for solving larger instances of the problem with the presented approach. The polynomial scaling we demonstrate on real processors is a foundational step in bringing practical quantum computation closer to reality.