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Publication - Professor Jeremy O'Brien

    Simulating the vibrational quantum dynamics of molecules using photonics

    Citation

    Sparrow, C, Lopez, EM, Maraviglia, N, Neville, A, Harrold, C, Carolan, J, Joglekar, Y, Hashimoto, T, Matsuda, N, O'Brien, J, Tew, D & Laing, A, 2018, ‘Simulating the vibrational quantum dynamics of molecules using photonics’. Nature, vol 557., pp. 660-667

    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 H CS, SO ,
    HNCO, HFHF, N and P . We then simulate coherent and dephased energy
    transport in the simplest model of the peptide bond in proteins—Nmethylacetamide—
    and simulate thermal relaxation and the effect of
    anharmonicities in H O. Finally, we use multi-photon statistics with a
    feedback control algorithm to iteratively identify quantum states that increase
    a particular dissociation pathway of NH . These methods point to powerful
    new simulation tools for molecular quantum dynamics and the field of
    femtochemistry.

    Full details in the University publications repository