Digital quantum simulation of NMR experiments

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.

7 pages + 3 figures (main text), 14 pages + 9 figures (supplementary material)

References in corpus (3)

• Efficient tensor network simulation of IBM's Eagle kicked Ising experiment
• Quantum computation of molecular structure using data from challenging-to-classically-simulate nuclear magnetic resonance experiments
• Master Equation Emulation and Coherence Preservation with Classical Control of a Superconducting Qubit

Cited by in corpus (15)

• Zero- to Ultralow-field Nuclear Magnetic Resonance
• The advantage of quantum control in many-body Hamiltonian learning
• Quantum computation of molecular structure using data from challenging-to-classically-simulate nuclear magnetic resonance experiments
• Mitigating crosstalk errors by randomized compiling: Simulation of the BCS model on a superconducting quantum computer
• Live magnetic observation of parahydrogen hyperpolarization dynamics
• High-fidelity two-qubit quantum logic gates in a trapped-ion chain using axial motional modes
• Simulating Non-Markovian Dynamics in Multidimensional Electronic Spectroscopy via Quantum Algorithm
• Accelerating two-dimensional electronic spectroscopy simulations with a probe qubit protocol
• Random Pulse Sequences for Qubit Noise Spectroscopy
• Opening Krylov space to access all-time dynamics via dynamical symmetries
• AppQSim: Application-oriented benchmarks for Hamiltonian simulation on a quantum computer
• Prospects for NMR Spectral Prediction on Fault-Tolerant Quantum Computers
• Platform tailored co-design of gate-based quantum simulation
• Describing Trotterized Time Evolutions on Noisy Quantum Computers via Static Effective Lindbladians
• Quantum dynamics of spin-J particles in static and rotating magnetic fields: Entanglement resonances and kinks