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Simulating the vibrational quantum dynamics of molecules using photonics

Author

Listed:
  • Chris Sparrow

    (University of Bristol
    Imperial College London)

  • Enrique Martín-López

    (Nokia Bell Labs)

  • Nicola Maraviglia

    (University of Bristol)

  • Alex Neville

    (University of Bristol)

  • Christopher Harrold

    (University of Bristol)

  • Jacques Carolan

    (Massachusetts Institute of Technology)

  • Yogesh N. Joglekar

    (Indiana University Purdue University Indianapolis (IUPUI))

  • Toshikazu Hashimoto

    (NTT Device Technology Laboratories, NTT Corporation)

  • Nobuyuki Matsuda

    (NTT Basic Research Laboratories, NTT Corporation)

  • Jeremy L. O’Brien

    (University of Bristol)

  • David P. Tew

    (School of Chemistry, University of Bristol)

  • Anthony Laing

    (University of Bristol)

Abstract

Advances in control techniques for vibrational quantum states in molecules present new challenges for modelling such systems, which could be amenable to quantum simulation methods. Here, by exploiting a natural mapping between vibrations in molecules and photons in waveguides, we demonstrate a reprogrammable photonic chip as a versatile simulation platform for a range of quantum dynamic behaviour in different molecules. We begin by simulating the time evolution of vibrational excitations in the harmonic approximation for several four-atom molecules, including H2CS, SO3, HNCO, HFHF, N4 and P4. We then simulate coherent and dephased energy transport in the simplest model of the peptide bond in proteins—N-methylacetamide—and simulate thermal relaxation and the effect of anharmonicities in H2O. Finally, we use multi-photon statistics with a feedback control algorithm to iteratively identify quantum states that increase a particular dissociation pathway of NH3. These methods point to powerful new simulation tools for molecular quantum dynamics and the field of femtochemistry.

Suggested Citation

  • Chris Sparrow & Enrique Martín-López & Nicola Maraviglia & Alex Neville & Christopher Harrold & Jacques Carolan & Yogesh N. Joglekar & Toshikazu Hashimoto & Nobuyuki Matsuda & Jeremy L. O’Brien & Davi, 2018. "Simulating the vibrational quantum dynamics of molecules using photonics," Nature, Nature, vol. 557(7707), pages 660-667, May.
    • Handle: RePEc:nat:nature:v:557:y:2018:i:7707:d:10.1038_s41586-018-0152-9
    DOI: 10.1038/s41586-018-0152-9
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    Cited by:

    1. F. H. B. Somhorst & R. Meer & M. Correa Anguita & R. Schadow & H. J. Snijders & M. Goede & B. Kassenberg & P. Venderbosch & C. Taballione & J. P. Epping & H. H. Vlekkert & J. Timmerhuis & J. F. F. Bul, 2023. "Quantum simulation of thermodynamics in an integrated quantum photonic processor," Nature Communications, Nature, vol. 14(1), pages 1-10, December.
    2. Ashish Chanana & Hugo Larocque & Renan Moreira & Jacques Carolan & Biswarup Guha & Emerson G. Melo & Vikas Anant & Jindong Song & Dirk Englund & Daniel J. Blumenthal & Kartik Srinivasan & Marcelo Dava, 2022. "Ultra-low loss quantum photonic circuits integrated with single quantum emitters," Nature Communications, Nature, vol. 13(1), pages 1-10, December.

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