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Simulating the vibrational quantum dynamics of molecules using photonics

Chris Sparrow, Enrique Martín-López, Nicola Maraviglia, Alex Neville, Christopher Harrold, Jacques Carolan, Yogesh N. Joglekar, Toshikazu Hashimoto, Nobuyuki Matsuda, Jeremy L. O’Brien, David P. Tew and Anthony Laing ()
Additional contact information
Chris Sparrow: University of Bristol
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

Nature, 2018, vol. 557, issue 7707, 660-667

Abstract: 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.

Date: 2018
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DOI: 10.1038/s41586-018-0152-9

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