Abstract
Simulations of nuclear magnetic resonance (NMR) experiments can be an important tool for extracting information about molecular structure and optimizing experimental protocols but are often intractable on classical computers for large molecules such as proteins and for protocols such as zero-field NMR. We demonstrate the first quantum simulation of an NMR spectrum, computing the zero-field spectrum of the methyl group of acetonitrile using four qubits of a trapped-ion quantum computer. We reduce the sampling cost of the quantum simulation by an order of magnitude using compressed sensing techniques. We show how the intrinsic decoherence of NMR systems may enable the zero-field simulation of classically hard molecules on relatively near-term quantum hardware and discuss how the experimentally demonstrated quantum algorithm can be used to efficiently simulate scientifically and technologically relevant solid-state NMR experiments on more mature devices. Our work opens a practical application for quantum computation. Show more
Permanent link
https://doi.org/10.3929/ethz-b-000647251Publication status
publishedExternal links
Journal / series
Science AdvancesVolume
Pages / Article No.
Publisher
AAASOrganisational unit
09753 - Demler, Eugene / Demler, Eugene
Funding
212899 - Non-perturbative approaches to strongly correlated many-body systems (SNF)
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