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  • Journal article
    Mukherjee R, Kuros A, Sacha K, Mintert Fet al., 2021,

    Controlled preparation of phases in two-dimensional time crystals

    , Physical Review Research, ISSN: 2643-1564
  • Journal article
    Smith AWR, Khosla KE, Self CN, Kim MSet al., 2021,

    Qubit readout error mitigation with bit-flip averaging

    , Science Advances, Vol: 7, Pages: 1-10, ISSN: 2375-2548

    Quantum computers are becoming increasingly accessible, and may soonoutperform classical computers for useful tasks. However, qubit readout errorsremain a significant hurdle to running quantum algorithms on current devices.We present a scheme to more efficiently mitigate these errors on quantumhardware and numerically show that our method consistently gives advantage overprevious mitigation schemes. Our scheme removes biases in the readout errorsallowing a general error model to be built with far fewer calibrationmeasurements. Specifically, for reading out $n$-qubits we show a factor of$2^n$ reduction in the number of calibration measurements without sacrificingthe ability to compensate for correlated errors. Our approach can be combinedwith, and simplify, other mitigation methods allowing tractable mitigation evenfor large numbers of qubits.

  • Journal article
    Driver T, Bachhawat N, Pipkorn R, Frasinski LJ, Marangos JP, Edelson-Averbukh M, Averbukh Vet al., 2021,

    Proteomic Database Search Engine for Two-Dimensional Partial Covariance Mass Spectrometry

    , ANALYTICAL CHEMISTRY, Vol: 93, Pages: 14946-14954, ISSN: 0003-2700
  • Journal article
    Haug T, Bharti K, Kim MS, 2021,

    Capacity and quantum geometry of parametrized quantum circuits

    , PRX Quantum, Vol: 2, Pages: 1-14, ISSN: 2691-3399

    To harness the potential of noisy intermediate-scale quantum devices, it is paramount to find the best type of circuits to run hybrid quantum-classical algorithms. Key candidates are parametrized quantum circuits that can be effectively implemented on current devices. Here, we evaluate the capacity and trainability of these circuits using the geometric structure of the parameter space via the effective quantum dimension, which reveals the expressive power of circuits in general as well as of particular initialization strategies. We assess the expressive power of various popular circuit types and find striking differences depending on the type of entangling gates used. Particular circuits are characterized by scaling laws in their expressiveness. We identify a transition in the quantum geometry of the parameter space, which leads to a decay of the quantum natural gradient for deep circuits. For shallow circuits, the quantum natural gradient can be orders of magnitude larger in value compared to the regular gradient; however, both of them can suffer from vanishing gradients. By tuning a fixed set of circuit parameters to randomized ones, we find a region where the circuit is expressive but does not suffer from barren plateaus, hinting at a good way to initialize circuits. We show an algorithm that prunes redundant parameters of a circuit without affecting its effective dimension. Our results enhance the understanding of parametrized quantum circuits and can be immediately applied to improve variational quantum algorithms.

  • Conference paper
    Barontini G, Boyer V, Calmet X, Fitch NJ, Forgan EM, Godun RM, Goldwin J, Guarrera V, Hill IR, Jeong M, Keller M, Juipers F, Margolis HS, Newman P, Prokhorov L, Rodewald J, Sauer BE, Schioppo M, Sherrill N, Tarbutt MR, Vecchio A, Worm Set al., 2021,

    QSNET, a network of clock for measuring the stability of fundamental constants

    , Proceedings Volume 11881, Quantum Technology: Driving Commercialisation of an Enabling Science II, Publisher: SPIE, Pages: 1-4

    The QSNET consortium is building a UK network of next-generation atomic and molecular clocks that will achieve unprecedented sensitivity in testing variations of the fine structure constant, α, and the electron-to-proton mass ratio, μ. This in turn will provide more stringent constraints on a wide range of fundamental and phenomenological theories beyond the Standard Model and on dark matter models.

  • Journal article
    Bray AC, Maxwell AS, Kissin Y, Ruberti M, Ciappina MF, Averbukh V, Faria CFDMet al., 2021,

    Polarization in strong-field ionization of excited helium

  • Journal article
    Zhao H, Smith A, Mintert F, Knolle Jet al., 2021,

    Orthogonal Quantum Many-Body Scars

    , PHYSICAL REVIEW LETTERS, Vol: 127, ISSN: 0031-9007
  • Journal article
    Greenberg J, Krohn OA, Bossert JA, Shyur Y, Macaluso D, Fitch NJ, Lewandowski HJet al., 2021,

    Velocity-tunable beam of continuously decelerated polar molecules for cold ion-molecule reaction studies.

    , Rev Sci Instrum, Vol: 92

    Producing high densities of molecules is a fundamental challenge for low-temperature, ion-molecule reaction studies. Traveling-wave Stark decelerators promise to deliver high density beams of cold, polar molecules but require non-trivial control of high-voltage potentials. We have overcome this experimental challenge and demonstrate continuous deceleration of ND3 from 385 to 10 m/s, while driving the decelerator electrodes with a 10 kV amplitude sinewave. In addition, we test an alternative slowing scheme, which increases the time delay between decelerated packets of ND3 and non-decelerated molecules, allowing for better energy resolution of subsequent reaction studies. We characterize this source of neutral, polar molecules suitable for energy-resolved reaction studies with trapped ions at cold translational temperatures. We also propose a combined apparatus consisting of the traveling-wave decelerator and a linear ion trap with a time-of-flight mass spectrometer and discuss to what extent it may achieve cold, energy-resolved, ion-neutral reactions.

  • Journal article
    Alauze X, Lim J, Trigatzis MA, Swarbrick S, Collings FJ, Fitch NJ, Sauer BE, Tarbutt MRet al., 2021,

    An ultracold molecular beam for testing fundamental physics

    , Quantum Science and Technology, Vol: 6

    We use two-dimensional transverse laser cooling to produce an ultracold beam of YbF molecules. Through experiments and numerical simulations, we study how the cooling is influenced by the polarization configuration, laser intensity, laser detuning and applied magnetic field. The ultracold part of the beam contains more than 2 105 molecules per shot and has a temperature below 200 μK, and the cooling yields a 300-fold increase in the brightness of the beam. The method can improve the precision of experiments that use molecules to test fundamental physics. In particular, the beam is suitable for measuring the electron electric dipole moment with a statistical precision better than 10-30 e cm.

  • Journal article
    Vovrosh J, Khosla KE, Greenaway S, Self C, Kim MS, Knolle Jet al., 2021,

    Simple mitigation of global depolarizing errors in quantum simulations.

    , Physical Review E: Statistical, Nonlinear, and Soft Matter Physics, Vol: 104, Pages: 1-8, ISSN: 1539-3755

    To get the best possible results from current quantum devices error mitigation is essential. In this work we present a simple but effective error mitigation technique based on the assumption that noise in a deep quantum circuit is well described by global depolarizing error channels. By measuring the errors directly on the device, we use an error model ansatz to infer error-free results from noisy data. We highlight the effectiveness of our mitigation via two examples of recent interest in quantum many-body physics: entanglement measurements and real-time dynamics of confinement in quantum spin chains. Our technique enables us to get quantitative results from the IBM quantum computers showing signatures of confinement, i.e., we are able to extract the meson masses of the confined excitations which were previously out of reach. Additionally, we show the applicability of this mitigation protocol in a wider setting with numerical simulations of more general tasks using a realistic error model. Our protocol is device-independent, simply implementable, and leads to large improvements in results if the global errors are well described by depolarization.

  • Journal article
    Walton A, Ghesquiere A, Brumpton G, Jennings D, Varcoe Bet al., 2021,

    Thermal state quantum key distribution

  • Journal article
    Barillot T, Alexander O, Cooper B, Driver T, Garratt D, Li S, Al Haddad A, Sanchez-Gonzalez A, Agåker M, Arrell C, Bearpark MJ, Berrah N, Bostedt C, Bozek J, Brahms C, Bucksbaum PH, Clark A, Doumy G, Feifel R, Frasinski LJ, Jarosch S, Johnson AS, Kjellsson L, Kolorenč P, Kumagai Y, Larsen EW, Matia-Hernando P, Robb M, Rubensson J-E, Ruberti M, Sathe C, Squibb RJ, Tan A, Tisch JWG, Vacher M, Walke DJ, Wolf TJA, Wood D, Zhaunerchyk V, Walter P, Osipov T, Marinelli A, Maxwell TJ, Coffee R, Lutman AA, Averbukh V, Ueda K, Cryan JP, Marangos JPet al., 2021,

    Correlation-driven transient hole dynamics resolved in space and time in the isopropanol molecule

    , Physical Review X, Vol: 11, Pages: 1-15, ISSN: 2160-3308

    The possibility of suddenly ionized molecules undergoing extremely fast electron hole (or, hole)dynamics prior to significant structural change was first recognized more than 20 years ago andtermed charge migration. The accurate probing of ultrafast electron hole dynamics requires measurements that have both sufficient temporal resolution and can detect the localization of a specifichole within the molecule. We report an investigation of the dynamics of inner valence hole states inisopropanol where we use an x-ray pump/x-ray probe experiment, with site and state-specific probing of a transient hole state localized near the oxygen atom in the molecule, together with an abinitio theoretical treatment. We record the signature of transient hole dynamics and make the firsttentative observation of dynamics driven by frustrated Auger-Meitner transitions. We verify thatthe effective hole lifetime is consistent with our theoretical prediction. This state-specific measurement paves the way to widespread application for observations of transient hole dynamics localizedin space and time in molecules and thus to charge transfer phenomena that are fundamental inchemical and material physics.

  • Journal article
    Driver T, Averbukh V, Frasiński LJ, Marangos JP, Edelson-Averbukh Met al., 2021,

    Two-dimensional partial covariance mass spectrometry for the top-down analysis of intact proteins.

    , Analytical Chemistry, Vol: 93, Pages: 10779-10788, ISSN: 0003-2700

    Two-dimensional partial covariance mass spectrometry (2D-PC-MS) exploits the inherent fluctuations of fragment ion abundances across a series of tandem mass spectra, to identify correlated pairs of fragment ions produced along the same fragmentation pathway of the same parent (e.g., peptide) ion. Here, we apply 2D-PC-MS to the analysis of intact protein ions in a standard linear ion trap mass analyzer, using the fact that the fragment-fragment correlation signals are much more specific to the biomolecular sequence than one-dimensional (1D) tandem mass spectrometry (MS/MS) signals at the same mass accuracy and resolution. We show that from the distribution of signals on a 2D-PC-MS map it is possible to extract the charge state of both parent and fragment ions without resolving the isotopic envelope. Furthermore, the 2D map of fragment-fragment correlations naturally separates the products of the primary decomposition pathways of the molecular ions from those of the secondary ones. We access this spectral information using an adapted version of the Hough transform. We demonstrate the successful identification of highly charged, intact protein molecules bypassing the need for high mass resolution. Using this technique, we also perform the in silico deconvolution of the overlapping fragment ion signals from two co-isolated and co-fragmented intact proteins, demonstrating a viable new method for the concurrent mass spectrometric identification of a mixture of intact protein ions from the same fragment ion spectrum.

  • Journal article
    Lee S-W, Im D-G, Kim Y-H, Nha H, Kim MSet al., 2021,

    Quantum teleportation is a reversal of quantum measurement

    , Physical Review Research, Vol: 3, Pages: 1-16, ISSN: 2643-1564

    We introduce a generalized concept of quantum teleportation in the framework of quantum measurement and reversing operation. Our framework makes it possible to find an optimal protocol for quantum teleportation enabling a faithful transfer of unknown quantum states with maximum success probability up to the fundamental limit of the no-cloning theorem. Moreover, an optimized protocol in this generalized approach allows us to overcome noise in quantum channel beyond the reach of existing teleportation protocols without requiring extra qubit resources. Our proposed framework is applicable to multipartite quantum communications and primitive functionalities in scalable quantum architectures.

  • Journal article
    Mori T, Zhao H, Mintert F, Knolle J, Moessner Ret al., 2021,

    Rigorous Bounds on the Heating Rate in Thue-Morse Quasiperiodically and Randomly Driven Quantum Many-Body Systems

    , PHYSICAL REVIEW LETTERS, Vol: 127, ISSN: 0031-9007
  • Journal article
    Self CN, Khosla KE, Smith AWR, Sauvage F, Haynes PD, Knolle J, Mintert F, Kim MSet al., 2021,

    Variational quantum algorithm with information sharing

    , npj Quantum Information, Vol: 7, ISSN: 2056-6387

    We introduce an optimisation method for variational quantum algorithms and experimentally demonstrate a 100-fold improvement in efficiency compared to naive implementations. The effectiveness of our approach is shown by obtaining multi-dimensional energy surfaces for small molecules and a spin model. Our method solves related variational problems in parallel by exploiting the global nature of Bayesian optimisation and sharing information between different optimisers. Parallelisation makes our method ideally suited to the next generation of variational problems with many physical degrees of freedom. This addresses a key challenge in scaling-up quantum algorithms towards demonstrating quantum advantage for problems of real-world interest.

  • Journal article
    Li S, Driver T, Al Haddad A, Champenois EG, Agaker M, Alexander O, Barillot T, Bostedt C, Garratt D, Kjellsson L, Lutman AA, Rubensson J-E, Sathe C, Marinelli A, Marangos JP, Cryan JPet al., 2021,

    Two-dimensional correlation analysis for x-ray photoelectron spectroscopy

    , Journal of Physics B: Atomic, Molecular and Optical Physics, Vol: 54, Pages: 1-9, ISSN: 0953-4075

    X-ray photoelectron spectroscopy (XPS) measures the binding energy of core-level electrons, which are well-localised to specific atomic sites in a molecular system, providing valuable information on the local chemical environment. The technique relies on measuring the photoelectron spectrum upon x-ray photoionisation, and the resolution is often limited by the bandwidth of the ionising x-ray pulse. This is particularly problematic for time-resolved XPS, where the desired time resolution enforces a fundamental lower limit on the bandwidth of the x-ray source. In this work, we report a novel correlation analysis which exploits the correlation between the x-ray and photoelectron spectra to improve the resolution of XPS measurements. We show that with this correlation-based spectral-domain ghost imaging method we can achieve sub-bandwidth resolution in XPS measurements. This analysis method enables XPS for sources with large bandwidth or spectral jitter, previously considered unfeasible for XPS measurements.

  • Journal article
    Jurgilas S, Chakraborty A, Rich C, Sauer B, Frye MD, Hutson JM, Tarbutt Met al., 2021,

    Collisions in a dual-species magneto-optical trap of molecules and atoms

    , New Journal of Physics, Vol: 23, ISSN: 1367-2630

    We study inelastic collisions between CaF molecules and ⁸⁷Rb atoms in a dual-species magneto-optical trap. The presence of atoms increases the loss rate of molecules from the trap. By measuring the loss rates and density distributions, we determine a collisional loss rate coefficient k₂ = (1.43 ± 0.29) × 10‾¹⁰cm³/s at a temperature of 2.4 mK. We show that this is not substantially changed by light-induced collisions or by varying the populations of excited-state atoms and molecules. The observed loss rate is close to the universal rate expected in the presence of fast loss at short range, and can be explained by rotation-changing collisions in the ground electronic state.

  • Journal article
    Greenaway S, Sauvage F, Khosla KE, Mintert Fet al., 2021,

    Efficient assessment of process fidelity

    , Physical Review Research, Vol: 3, Pages: 1-15, ISSN: 2643-1564

    The accurate implementation of quantum gates is essential for the realisation of quantum algorithms and digital quantum simulations. This accuracy may be increased on noisy hardware through the variational optimisation of gates, however the experimental realisation of such a protocol is impeded by the large effort required to estimate the fidelity of an implemented gate. With a hierarchy of approximations we find a faithful approximation to the quantum process fidelity that can be estimated experimentally with reduced effort. Its practical use is demonstrated with the optimisation of a three-qubit quantum gate on a commercially available quantum processor.

  • Journal article
    Armstrong GSJ, Khokhlova MA, Labeye M, Maxwell AS, Pisanty E, Ruberti Met al., 2021,

    Dialogue on analytical and ab initio methods in attoscience

    , The European Physical Journal D, Vol: 75, ISSN: 1434-6060

    <jats:title>Abstract</jats:title><jats:p>The perceived dichotomy between analytical and ab initio approaches to theory in attosecond science is often seen as a source of tension and misconceptions. This Topical Review compiles the discussions held during a round-table panel at the ‘Quantum Battles in Attoscience’ <jats:sc>cecam</jats:sc> virtual workshop, to explore the sources of tension and attempt to dispel them. We survey the main theoretical tools of attoscience—covering both analytical and numerical methods—and we examine common misconceptions, including the relationship between ab initio approaches and the broader numerical methods, as well as the role of numerical methods in ‘analytical’ techniques. We also evaluate the relative advantages and disadvantages of analytical as well as numerical and ab initio methods, together with their role in scientific discovery, told through the case studies of two representative attosecond processes: non-sequential double ionisation and resonant high-harmonic generation. We present the discussion in the form of a dialogue between two hypothetical theoreticians, a numericist and an analytician, who introduce and challenge the broader opinions expressed in the attoscience community.</jats:p>

  • Journal article
    Stickler BA, Hornberger K, Kim MS, 2021,

    Quantum rotations of nanoparticles

    , NATURE REVIEWS PHYSICS, Vol: 3, Pages: 589-597
  • Journal article
    Smith AWR, Gray J, Kim MS, 2021,

    Efficient quantum state sample tomography with basis-dependent neural networks

    , PRX Quantum, Vol: 2, Pages: 1-15, ISSN: 2691-3399

    We use a metalearning neural-network approach to analyze data from a measured quantum state. Once our neural network has been trained, it can be used to efficiently sample measurements of the state in measurement bases not contained in the training data. These samples can be used to calculate expectation values and other useful quantities. We refer to this process as “state sample tomography.” We encode the state’s measurement outcome distributions using an efficiently parameterized generative neural network. This allows each stage in the tomography process to be performed efficiently even for large systems. Our scheme is demonstrated on recent IBM Quantum devices, producing a model for a six-qubit state’s measurement outcomes with a predictive accuracy (classical fidelity) greater than 95% for all test cases using only 100 random measurement settings as opposed to the 729 settings required for standard full tomography using local measurements. This reduction in the required number of measurements scales favorably, with training data in 200 measurement settings, yielding a predictive accuracy greater than 92% for a ten-qubit state where 59 049 settings are typically required for full local measurement-based quantum state tomography. A reduction in the number of measurements by a factor, in this case, of almost 600 could allow for estimations of expectation values and state fidelities in practicable times on current quantum devices.

  • Journal article
    Petiziol F, Sameti M, Carretta S, Wimberger S, Mintert Fet al., 2021,

    Quantum Simulation of Three-Body Interactions in Weakly Driven Quantum Systems

    , PHYSICAL REVIEW LETTERS, Vol: 126, ISSN: 0031-9007
  • Journal article
    Fitch N, Tarbutt M, 2021,

    Laser-cooled molecules

    , Advances in Atomic Molecular and Optical Physics, ISSN: 1049-250X
  • Journal article
    Driver T, Bachhawat N, Frasinski L, Marangos J, Averbukh V, Edelson-Averbukh Met al., 2021,

    Chimera spectrum diagnostics for peptides using two-dimensional partial covariance mass spectrometry

    , Molecules, Vol: 26, ISSN: 1420-3049

    The rate of successful identification of peptide sequences by tandem mass spectrometry (MS/MS) is adversely affected by the common occurrence of co-isolation and co-fragmentation of two or more isobaric or isomeric parent ions. This results in so-called `chimera spectra’, which feature peaks of the fragment ions from more than a single precursor ion. The totality of the fragment ion peaks in chimera spectra cannot be assigned to a single peptide sequence, which contradicts a fundamental assumption of the standard automated MS/MS spectra analysis tools, such as protein database search engines. This calls for a diagnostic method able to identify chimera spectra to single out the cases where this assumption is not valid. Here, we demonstrate that, within the recently developed two-dimensional partial covariance mass spectrometry (2D-PC-MS), it is possible to reliably identify chimera spectra directly from the two-dimensional fragment ion spectrum, irrespective of whether the co-isolated peptide ions are isobaric up to a finite mass accuracy or isomeric. We introduce ‘3-57 chimera tag’ technique for chimera spectrum diagnostics based on 2D-PC-MS and perform numerical simulations to examine its efficiency. We experimentally demonstrate the detection of a mixture of two isomeric parent ions, even under conditions when one isomeric peptide is at one five-hundredth of the molar concentration of the second isomer.

  • Journal article
    Toros M, Van De Kamp TW, Marshman RJ, Kim MS, Mazumdar A, Bose Set al., 2021,

    Relative acceleration noise mitigation for nanocrystal matter-wave interferometry: Applications to entangling masses via quantum gravity

    , Physical Review Special Topics: Physics Education Research, Vol: 3, Pages: 1-14, ISSN: 1554-9178

    Matter-wave interferometers with large momentum transfers, irrespective of specific implementations, will face a universal dephasing due to relative accelerations between the interferometric mass and the associated apparatus. Here we propose a solution that works even without actively tracking the relative accelerations: putting both the interfering mass and its associated apparatus in a freely falling capsule, so that the strongest inertial noise components vanish due to the equivalence principle. In this setting, we investigate two of the most important remaining noise sources: (a) the noninertial jitter of the experimental setup and (b) the gravity-gradient noise. We show that the former can be reduced below desired values by appropriate pressures and temperatures, while the latter can be fully mitigated in a controlled environment. We finally apply the analysis to a recent proposal for testing the quantum nature of gravity [S. Bose et al., Phys. Rev. Lett. 119, 240401 (2017)] through the entanglement of two masses undergoing interferometry. We show that the relevant entanglement witnessing is feasible with achievable levels of relative acceleration noise.

  • Working paper
    Sturges TJ, McDermott T, Buraczewski A, Clements WR, Renema JJ, Nam SW, Gerrits T, Lita A, Kolthammer WS, Eckstein A, Walmsley IA, Stobinska Met al., 2021,

    Quantum simulations with multiphoton Fock states

    , Publisher: NATURE RESEARCH
  • Journal article
    Im D-G, Lee C-H, Kim Y, Nha H, Kim MS, Lee S-W, Kim Y-Het al., 2021,

    Optimal teleportation via noisy quantum channels without additional qubit resources

    , npj Quantum Information, Vol: 7, Pages: 1-7, ISSN: 2056-6387

    Quantum teleportation exemplifies how the transmission of quantum information starkly differs from that of classical information and serves as a key protocol for quantum communication and quantum computing. While an ideal teleportation protocol requires noiseless quantum channels to share a pure maximally entangled state, the reality is that shared entanglement is often severely degraded due to various decoherence mechanisms. Although the quantum noise induced by the decoherence is indeed a major obstacle to realizing a near-term quantum network or processor with a limited number of qubits, the methodologies considered thus far to address this issue are resource-intensive. Here, we demonstrate a protocol that allows optimal quantum teleportation via noisy quantum channels without additional qubit resources. By analyzing teleportation in the framework of generalized quantum measurement, we optimize the teleportation protocol for noisy quantum channels. In particular, we experimentally demonstrate that our protocol enables to teleport an unknown qubit even via a single copy of an entangled state under strong decoherence that would otherwise preclude any quantum operation. Our work provides a useful methodology for practically coping with decoherence with a limited number of qubits and paves the way for realizing noisy intermediate-scale quantum computing and quantum communication.

  • Journal article
    Thekkadath GS, Sempere-Llagostera S, Bell BA, Patel RB, Kim MS, Walmsley IAet al., 2021,

    Single-shot discrimination of coherent states beyond the standard quantum limit

    , OPTICS LETTERS, Vol: 46, Pages: 2565-2568, ISSN: 0146-9592
  • Conference paper
    Schofield RC, Boissier S, Jin L, Ovvyan A, Nur S, Koppens FHL, Toninelli C, Pernice WHP, Major KD, Hinds EA, Clark ASet al., 2021,

    Coupling a Single Molecule to an Interrupted Nanophotonic Waveguide

    Single organic molecules have recently seen increased interest for use as single photon sources [1]. They emit photons with high efficiency and at favourable wavelengths for coupling to other quantum systems. While the excitation of molecules and their subsequent radiative emission is efficient [2] , the generated photons can be difficult to efficiently collect. There is therefore a large amount of ongoing work on coupling organic molecules to nanophotonic structures to modify their emission. Evanescent coupling to nanophotonic [3] , [4] and hybrid plasmonic [5] waveguides has shown promise but has limitations; the molecules must be very close to the waveguide to be in the evanescent field of the guided mode which can cause the molecules to become unstable. Here I will present our recent work on coupling organic molecules to interrupted waveguides using on chip micro-capillaries [6].

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