A pumping approach for computing dynamical structure factors on quantum computers directly targets specific frequencies by time-evolving with an oscillating perturbation, demonstrated on 20-qubit trapped-ion hardware.
Towards quantum utility for NMR quantum simulation on a NISQ computer
2 Pith papers cite this work, alongside 3 external citations. Polarity classification is still indexing.
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abstract
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.
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quant-ph 2representative citing papers
NMR spectral simulations in zero/ultralow fields for small molecules and proteins are identified as promising applications for fault-tolerant quantum computation via qubitized dynamics circuits.
citing papers explorer
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Dynamical structure factor with a pumping approach on a trapped-ion quantum computer
A pumping approach for computing dynamical structure factors on quantum computers directly targets specific frequencies by time-evolving with an oscillating perturbation, demonstrated on 20-qubit trapped-ion hardware.
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Prospects for NMR Spectral Prediction on Fault-Tolerant Quantum Computers
NMR spectral simulations in zero/ultralow fields for small molecules and proteins are identified as promising applications for fault-tolerant quantum computation via qubitized dynamics circuits.