Simulating the vibrational quantum dynamics of molecules using photonics

Nature
Chris SparrowAnthony Laing

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.

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Citations

Jan 16, 2019·Optics Express·Radim HošákMiroslav Ježek
Jun 30, 2019·Optics Express·Shahriar AghaeimeibodiEdo Waks
Jun 15, 2019·Optics Letters·Jun GuanMartin J Booth
Jul 12, 2019·Chemical Science·Sam McArdleXiao Yuan
Jun 10, 2020·Nature Communications·M DuselC Schneider
Feb 17, 2019·Proceedings of the National Academy of Sciences of the United States of America·Xuemei GuMario Krenn
Jun 18, 2020·Science Advances·Leonardo BanchiJuan Miguel Arrazola
May 15, 2020·Optics Express·Lukas SplitthoffCarsten Schuck
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Jan 31, 2021·Nature Communications·Sebastien BoissierAlex S Clark
Dec 17, 2020·Chemical Reviews·Kade Head-MarsdenPrineha Narang
May 23, 2021·Proceedings of the National Academy of Sciences of the United States of America·M LeonettiG Ruocco
Jul 24, 2021·Physical Review Letters·Kunkun WangPeng Xue
Aug 6, 2021·Chemical Science·Ryan J MacDonellIvan Kassal
Aug 31, 2019·Chemical Reviews·Yudong CaoAlán Aspuru-Guzik
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Jun 17, 2021··N. S. KirsanovS. Y. Tsovianov
Mar 6, 2020··Daniel LlewellynAnthony Laing

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