Using a trapped ion quantum computer to simulate NMR spectra

ORAL

Abstract

Nuclear magnetic resonance (NMR) spectroscopy is a useful tool in understanding molecular composition and dynamics, but simulating NMR spectra of large molecules becomes intractable on classical computers as the spin correlations in these systems can grow exponentially with molecule size. In contrast, quantum computers are well suited to simulate NMR spectra of molecules, particularly zero- to ultralow field (ZULF) NMR where the spin-spin interactions in the molecules dominate. In this work, we demonstrate the first quantum simulation of an NMR spectrum, specifically that of the methyl group of acetonitrile in ZULF, using a trapped ion quantum computer. The simulation involves state-of-the-art "QFAST" circuit synthesis algorithm that produces short circuits, with the circuit sampling rate considerably reduced by employing a compressed sensing technique. This work lays the foundation for simulation of NMR experiments on noisy quantum hardware.

*This work is supported by ARO through the IARPA LogiQ program, the NSF STAQ Program, the AFOSR MURIs on Dissipation Engineering in Open Quantum Systems and Quantum Interactive Protocols for Quantum Computation, the ARO MURI on Modular Quantum Circuits, and the U.S. DOE Quantum Systems Accelerator.

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Publication: arXiv:2109.13298

Presenters

  • Debopriyo Biswas

    • Department of Physics, Duke Quantum Center, Duke University; Joint Quantum Institute, Department of Physics, University of Maryland, College Park.
    • University of Maryland, College Park
    • JQI/QuICS/UMD Physics, DQC/Duke ECE
    • JQI and QuICS and Department of Physics, University of Maryland, College Park; Duke Quantum Center and Department of Physics, Duke University

Authors

  • Debopriyo Biswas

    • Department of Physics, Duke Quantum Center, Duke University; Joint Quantum Institute, Department of Physics, University of Maryland, College Park.
    • University of Maryland, College Park
    • JQI/QuICS/UMD Physics, DQC/Duke ECE
    • JQI and QuICS and Department of Physics, University of Maryland, College Park; Duke Quantum Center and Department of Physics, Duke University

  • Kushal Seetharam

    • Department of Electrical Engineering, Massachusetts Institute of Technology; Department of Physics, Harvard University.

  • Crystal Noel

    • Duke
    • Department of Electrical and Computer Engineering, Duke Quantum Center, Duke University; Joint Quantum Institute, Department of Physics, University of Maryland, College Park.
    • Joint Quantum Institute, University of Maryland, College Park; Duke University Department of Electrical and Computer Engineering, Duke Quantum Center
    • JQI/QuICS/UMD Physics, DQC/Duke ECE
    • JQI and QuICS and Department of Physics, University of Maryland, College Park; Duke Quantum Center and Department of ECE, Duke University

  • Andrew Risinger

    • Joint Quantum Institute, Department of Electrical and Computer Engineering, University of Maryland, College Park.
    • University of Maryland, College Park
    • JQI/QuICS/UMD Physics
    • JQI and QuICS and Departments of Physics and ECE, University of Maryland, College Park, MD 20742

  • Daiwei Zhu

    • Joint Quantum Institute, Department of Electrical and Computer Engineering, University of Maryland.
    • IonQ
    • JQI and QuICS and Departments of Physics and ECE, University of Maryland, College Park; IonQ

  • Or Katz

    • Weizmann Institute of Science
    • Department of Electrical and Computer Engineering, Department of Physics, Duke Quantum Center, Duke University.
    • Duke University
    • Duke Quantum Center and Department of Physics, Duke University
    • Duke Quantum Center and Department of Electrical and Computer Engineering, Duke University, Durham, NC

  • Sambuddha Chattopadhyay

    • Department of Physics, Harvard University.

  • Marko Cetina

    • Joint Quantum Institute, Department of Physics, University of Maryland, College Park; Department of Physics, Duke Quantum Center, Duke University.
    • Duke University
    • JQI/QuICS/UMD Physics, DQC/Duke ECE
    • JQI and QuICS and Department of Physics, University of Maryland, College Park; Duke Quantum Center and Department of Physics, Duke University
    • Duke Quantum Center and Department of Physics, Duke University, Durham, NC

  • Christopher Monroe

    • Department of Electrical and Computer Engineering and Physics, Duke Quantum Center, Duke University; Joint Quantum Institute, Department of Physics, University of Maryland, College Park; IonQ Inc.
    • Duke University
    • JQI, QuIcs, Department of Physics, University of Maryland, IonQ Inc, College Park MD; DQC, Dept of Physics, Dept. of ECE, Duke University, Durham, NC
    • Electrical and Computer Engineering Department, Duke Quantum Center, Duke University; Joint Quantum Institute, University of Maryland
    • Duke Quantum Center and Department of Electrical and Computer Engineering (and Physics), Duke University, Durham, NC; IonQ, Inc., College Park, MD 20740

  • Eugene Demler

    • Institute for Theoretical Physics, ETH Zürich.
    • Harvard University

  • Dries Sels

    • Department of Physics, New York University; Center for Computational Quantum Physics, Flatiron Institute.