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In trapped-atom quantum computers, high-fidelity control of optical qubits is challenging due to the motion of atoms in the trap. If not corrected, the atom motion gets entangled with the qubit degrees of freedom through two fundamental mechanisms, (i) photon recoil and (ii) thermal motion, both leading to a reduction of the gate fidelity. We develop motion-insensitive pulses that suppress both sources of infidelity by modulating the phase of the driving laser field in time. To eliminate photon recoil, we use bang-bang pulses$-$derived using time-optimal control$-$which shorten the gate duration by about 20 times compared to conventional pulses. However, even when photon recoil is eliminated, we find that the gate error does not vanish, but is rather limited by a bound arising from thermal motion-induced entanglement. Remarkably, this bound is independent of the Rabi frequency, meaning that, unlike for photon recoil, operating in the resolved sideband regime does not mitigate this source of infidelity. To overcome this bound, we derive smooth-phase pulses, which allow for a further reduction of the gate error by more than an order of magnitude for typical thermal atoms. Motion-insensitive pulses can be refined to compensate for laser inhomogeneities, enhancing the gate performance in practical situations. Our results are validated through simulations of one-qubit gates operating on the optical clock transition of ${}^{88}$Sr atoms trapped in an optical tweezers array., Comment: 22 pages, 10 figures

We introduce a generalized phase-space representation of qubit systems called the BEADS representation which makes it possible to visualize arbitrary quantum states in an intuitive and an easy to grasp way. At the same time, our representation is exact, bijective, and general. It bridges the gap between the highly abstract mathematical description of quantum mechanical phenomena and the mission to convey them to non-specialists in terms of meaningful pictures and tangible models. Several levels of simplifications can be chosen, e.g., when using the BEADS representation in the communication of quantum mechanics to the general public. In particular, this visualization has predictive power in contrast to simple metaphors such as Schr\"odinger's cat., Comment: Main text: pages 1-38 (9 figures), supplementary material: pages 39-157 (54 figures), video available via link in supplementary section S23 (p. 154)

We propose a scheme to perform optical pulses that suppress the effect of photon recoil by three orders of magnitude compared to ordinary pulses in the Lamb-Dicke regime. We derive analytical insight about the fundamental limits to the fidelity of optical qubits for trapped atoms and ions. This paves the way towards applications in quantum computing for realizing $>1000$ of gates with an overall fidelity above 99\%., Comment: 5 pages plus appendices and bibliography, 6 figures

We present an experimental scanning-based tomography approach for near-term quantum devices. The underlying method has previously been introduced in an ensemble-based NMR setting. Here we provide a tutorial-style explanation along with suitable software tools to guide experimentalists in its adaptation to near-term pure-state quantum devices. The approach is based on a Wigner-type representation of quantum states and operators. These representations provide a rich visualization of quantum operators using shapes assembled from a linear combination of spherical harmonics. These shapes (called droplets in the following) can be experimentally tomographed by measuring the expectation values of rotated axial tensor operators. We present an experimental framework for implementing the scanning-based tomography technique for circuit-based quantum computers and showcase results from IBM quantum experience. We also present a method for estimating the density and process matrices from experimentally tomographed Wigner functions (droplets). This tomography approach can be directly implemented using the Python-based software package \texttt{DROPStomo}., Comment: Extended supplemental section on temporal averaging

Quantum optimal control, a toolbox for devising and implementing the shapes of external fields that accomplish given tasks in the operation of a quantum device in the best way possible, has evolved into one of the cornerstones for enabling quantum technologies. The last few years have seen a rapid evolution and expansion of the field. We review here recent progress in our understanding of the controllability of open quantum systems and in the development and application of quantum control techniques to quantum technologies. We also address key challenges and sketch a roadmap for future developments., Comment: this is a living document - we welcome feedback and discussion

Purpose: The paper introduces a classical model to describe the dynamics of large spin-1/2 ensembles associated with nuclei bound in large molecule structures, commonly referred to as the semi-solid spin pool, and their magnetization transfer (MT) to spins of nuclei in Theory and Methods: Like quantum-mechanical descriptions of spin dynamics and like the original Bloch equations, but unlike existing MT models, the proposed model is based on the algebra of angular momentum in the sense that it explicitly models the rotations induced by radio-frequency (RF) pulses. It generalizes the original Bloch model to non-exponential decays, which are, e.g., observed for semi-solid spin pools. The combination of rotations with non-exponential decays is facilitated by describing the latter as Green's functions, comprised in an integro-differential equation. Results: Our model describes the data of an inversion-recovery magnetization-transfer experiment with varying durations of the inversion pulse substantially better than established models. We made this observation for all measured data, but in particular for pulse durations small than 300$\mu$s. Furthermore, we provide a linear approximation of the generalized Bloch model that reduces the simulation time by approximately a factor 15,000, enabling simulation of the spin dynamics caused by a rectangular RF-pulse in roughly 2$\mu$s. Conclusion: The proposed theory unifies the original Bloch model, Henkelman's steady-state theory for magnetization transfer, and the commonly assumed rotation induced by hard pulses (i.e., strong and infinitesimally short applications of RF fields) and describes experimental data better than previous models.

We study the selective and robust time-optimal rotation control of several spin-1/2 particles with different offset terms. For that purpose, the Pontryagin Maximum Principle is applied to a model of two spins, which is simple enough for analytic computations and sufficiently complex to describe inhomogeneity effects. We find that selective and robust controls are respectively described by singular and regular trajectories. Using a geometric analysis combined with numerical simulations, we determine the optimal solutions of different control problems. Selective and robust controls can be derived analytically without numerical optimization. We show the optimality of several standard control mechanisms in Nuclear Magnetic Resonance, but new robust controls are also designed.

Quantum devices are preparing increasingly more complex entangled quantum states. How can one effectively study these states in light of their increasing dimensions? Phase spaces such as Wigner functions provide a suitable framework. We focus on phase spaces for finite-dimensional quantum states of single qudits or permutationally symmetric states of multiple qubits. We present methods to efficiently compute the corresponding phase-space functions which are at least an order of magnitude faster than traditional methods. Quantum many-body states in much larger dimensions can now be effectively studied by experimentalists and theorists using these phase-space techniques., Comment: 12 pages, 3 figures

Phase spaces as given by the Wigner distribution function provide a natural description of infinite-dimensional quantum systems. They are an important tool in quantum optics and have been widely applied in the context of time-frequency analysis and pseudo-differential operators. Phase-space distribution functions are usually specified via integral transformations or convolutions which can be averted and subsumed by (displaced) parity operators proposed in this work. Building on earlier work for Wigner distribution functions [A. Grossmann, Comm. Math. Phys. 48(3), 191 (1976)], parity operators give rise to a general class of distribution functions in the form of quantum-mechanical expectation values. This enables us to precisely characterize the mathematical existence of general phase-space distribution functions. We then relate these distribution functions to the so-called Cohen class [L. Cohen, J. Math. Phys. 7(5), 781 (1966)] and recover various quantization schemes and distribution functions from the literature. The parity-operator approach is also applied to the Born-Jordan distribution which originates from the Born-Jordan quantization [M. Born, P. Jordan, Z. Phys. 34(1), 858 (1925)]. The corresponding parity operator is written as a weighted average of both displacements and squeezing operators and we determine its generalized spectral decomposition. This leads to an efficient computation of the Born-Jordan parity operator in the number-state basis and example quantum states reveal unique features of the Born-Jordan distribution., Comment: 56 pages, 3 figures

We study the representation and visualization of finite-dimensional quantum systems. In a generalized Wigner representation, multi-spin operators can be decomposed into a symmetry-adapted tensor basis and they are mapped to multiple spherical plots that are each assembled from linear combinations of spherical harmonics. We apply two different approaches based on explicit projection operators and coefficients of fractional parentage in order to obtain this basis for up to six spins 1/2 (qubits), for which various examples are presented. An extension to two coupled spins with arbitrary spin numbers (qudits) is provided, also highlighting a quantum system of a spin 1/2 coupled to a spin 1 (qutrit)., Comment: 29 pages

We study continuous phase spaces of single spins and develop a complete description of their time evolution. The time evolution is completely specified by so-called star products. We explicitly determine these star products for general spin numbers using a simplified approach which applies spin-weighted spherical harmonics. This approach naturally relates phase spaces of increasing spin number to their quantum-optical limit and allows for efficient approximations of the time evolution for large spin numbers. We also approximate phase-space representations of certain quantum states that are challenging to calculate for large spin numbers. All of these applications are explored in concrete examples and we outline extensions to coupled spin systems., Comment: 30 pages, 7 figures, v2: added time evolution example

We study the tomography of propagators for spin systems in the context of finite-dimensional Wigner representations, which completely characterize and visualize operators using shapes assembled from linear combinations of spherical harmonics. The Wigner representation of a propagator can be experimentally recovered by measuring expectation values of rotated axial spherical tensor operators in an augmented system with an additional ancilla qubit. The methodology is experimentally demonstrated for standard one-qubit quantum gates using nuclear magnetic resonance spectroscopy. In particular, this approach provides a direct and compelling visualization of the spinor property of the propagators corresponding to the rotation of a spin 1/2 particle., Comment: 18 pages, 10 figures

Within the last two decades, Quantum Technologies (QT) have made tremendous progress, moving from Noble Prize award-winning experiments on quantum physics into a cross-disciplinary field of applied research. Technologies are being developed now that explicitly address individual quantum states and make use of the 'strange' quantum properties, such as superposition and entanglement. The field comprises four domains: Quantum Communication, Quantum Simulation, Quantum Computation, and Quantum Sensing and Metrology. One success factor for the rapid advancement of QT is a well-aligned global research community with a common understanding of the challenges and goals. In Europe, this community has profited from several coordination projects, which have orchestrated the creation of a 150-page QT Roadmap. This article presents an updated summary of this roadmap. Besides sections on the four domains of QT, we have included sections on Quantum Theory and Software, and on Quantum Control, as both are important areas of research that cut across all four domains. Each section, after a short introduction to the domain, gives an overview on its current status and main challenges and then describes the advances in science and technology foreseen for the next ten years and beyond.

Continuous phase spaces have become a powerful tool for describing, analyzing, and tomographically reconstructing quantum states in quantum optics and beyond. A plethora of these phase-space techniques are known, however a thorough understanding of their relations was still lacking for finite-dimensional quantum states. We present a unified approach to continuous phase-space representations which highlights their relations and tomography. The infinite-dimensional case from quantum optics is then recovered in the large-spin limit., Comment: 15 pages, 9 figures, v4: extended tomography analysis, added references and figures

We study the tomography of multispin quantum states in the context of finite-dimensional Wigner representations. An arbitrary operator can be completely characterized and visualized using multiple shapes assembled from linear combinations of spherical harmonics [A. Garon, R. Zeier, and S. J. Glaser, Phys. Rev. A 91, 042122 (2015)]. We develop a general methodology to experimentally recover these shapes by measuring expectation values of rotated axial spherical tensor operators and provide an interpretation in terms of fictitious multipole potentials. Our approach is experimentally demonstrated for quantum systems consisting of up to three spins using nuclear magnetic resonance spectroscopy., Comment: v2: close to published version

Phase-space representations as given by Wigner functions are a powerful tool for representing the quantum state and characterizing its time evolution in the case of infinite-dimensional quantum systems and have been widely used in quantum optics and beyond. Continuous phase spaces have also been studied for finite-dimensional quantum systems such as spin systems. However, much less is known for finite-dimensional, coupled systems, and we present a complete theory of Wigner functions for this case. In particular, we provide a self-contained Wigner formalism for describing and predicting the time evolution of coupled spins which lends itself to visualizing the high-dimensional structure of multi-partite quantum states. We completely treat the case of an arbitrary number of coupled spins 1/2, thereby establishing the equation of motion using Wigner functions. The explicit form of the time evolution is then calculated for up to three spins 1/2. The underlying physical principles of our Wigner representations for coupled spin systems are illustrated with multiple examples which are easily translatable to other experimental scenarios., Comment: 61 pages, 16 figures

In this chapter we review the contributions of Nuclear Magnetic Resonance to the study of quantum correlations, including its capabilities to prepare initial states, generate unitary transformations, and characterize the final state. These are the three main demands to implement quantum information processing in a physical system, which NMR offers, nearly to perfection, though for a small number of qubits. Our main discussion will concern liquid samples at room temperature., Comment: 24 pages, 14 figures. Contribution to "Lectures on general quantum correlations and their applications", edited by Felipe Fanchini, Diogo Soares-Pinto, and Gerardo Adesso. Sorry for being late!

The ability to live in coherent superpositions is a signature trait of quantum systems and constitutes an irreplaceable resource for quantum-enhanced technologies. However, decoherence effects usually destroy quantum superpositions. It has been recently predicted that, in a composite quantum system exposed to dephasing noise, quantum coherence in a transversal reference basis can stay protected for indefinite time. This can occur for a class of quantum states independently of the measure used to quantify coherence, and requires no control on the system during the dynamics. Here, such an invariant coherence phenomenon is observed experimentally in two different setups based on nuclear magnetic resonance at room temperature, realising an effective quantum simulator of two- and four-qubit spin systems. Our study further reveals a novel interplay between coherence and various forms of correlations, and highlights the natural resilience of quantum effects in complex systems., Comment: 5+4 pages, 3 figures; close to published version

Polarization transfers from an electron spin to a nuclear spin are essential for various physical tasks, such as dynamic nuclear polarization in nuclear magnetic resonance and quantum state transformations on hybrid electron-nuclear spin systems. We present time-optimal schemes for electron-nuclear polarization transfers which improve on conventional approaches and will have wide applications., Comment: 11 pages, 8 figures

The state of quantum systems, their energetics, and their time evolution is modeled by abstract operators. How can one visualize such operators for coupled spin systems? A general approach is presented which consists of several shapes representing linear combinations of spherical harmonics. It is applicable to an arbitrary number of spins and can be interpreted as a generalization of Wigner functions. The corresponding visualization transforms naturally under non-selective spin rotations as well as spin permutations. Examples and applications are illustrated for the case of three spins 1/2., Comment: 27 pages, 12 figures, 10 tables; v2: extended the discussion of Wigner functions, the motivation, and the comparison to other work

A general approach is introduced for the efficient simultaneous optimization of pulses that compensate each other' s imperfections within the same scan. This is applied to broadband Ramsey-type experiments, resulting in pulses with significantly shorter duration compared to individually optimized broadband pulses. The advantage of the cooperative pulse approach is demonstrated experimentally for the case of two-dimensional nuclear Overhauser enhancement spectroscopy. In addition to the general approach, a symmetry-adapted analysis of the optimization of Ramsey sequences is presented. Furthermore, the numerical results led to the disovery of a powerful class of pulses with a special symmetry property, which results in excellent performance in Ramsey-type experiments. A significantly different scaling of pulse sequence performance as a function of pulse duration is found for characteristic pulse families, which is explained in terms of the different numbers of available degrees of freedom in the offset dependence of the associated Euler angles., Comment: 45 pages, 16 figures

We present highly robust, optimal control-based shaped pulses designed to replace all 90{\deg} and 180{\deg} hard pulses in a given pulse sequence for improved performance. Special attention was devoted to ensuring that the pulses can be simply substituted in a one-to-one fashion for the original hard pulses without any additional modification of the existing sequence. The set of four pulses for each nucleus therefore consists of 90{\deg} and 180{\deg} point-to-point (PP) and universal rotation (UR) pulses of identical duration. These 1 ms pulses provide uniform performance over resonance offsets of 20 kHz (1H) and 35 kHz (13C) and tolerate reasonably large radio frequency (RF) inhomogeneity/miscalibration of (+/-)15% (1H) and (+/-)10% (13C), making them especially suitable for NMR of small-to-medium-sized molecules (for which relaxation effects during the pulse are negligible) at an accessible and widely utilized spectrometer field strength of 600 MHz. The experimental performance of conventional hard-pulse sequences is shown to be greatly improved by incorporating the new pulses, each set referred to as the Fantastic Four (Fanta4)., Comment: 28 pages, 19 figures

Existing optimal control protocols for mitigating the effects of relaxation and/or RF inhomogeneity on broadband pulse performance are extended to the more difficult problem of designing robust, refocused, frequency selective excitation pulses. For the demanding case of T1 and T2 equal to the pulse length, anticipated signal losses can be significantly reduced while achieving nearly ideal frequency selectivity. Improvements in performance are the result of allowing residual unrefocused magnetization after applying relaxation-compensated selective excitation by optimized pulses (RC-SEBOP). We demonstrate simple pulse sequence elements for eliminating this unwanted residual signal.

Broadband inversion pulses that rotate all magnetization components 180 degrees about a given fixed axis are necessary for refocusing and mixing in high-resolution NMR spectroscopy. The relative merits of various methodologies for generating pulses suitable for broadband refocusing are considered. The de novo design of 180 degree universal rotation pulses using optimal control can provide improved performance compared to schemes which construct refocusing pulses as composites of existing pulses. The advantages of broadband universal rotation by optimized pulses (BURBOP) are most evident for pulse design that includes tolerance to RF inhomogeneity or miscalibration. We present new modifications of the optimal control algorithm that incorporate symmetry principles and relax conservative limits on peak RF pulse amplitude for short time periods that pose no threat to the probe. We apply them to generate a set of pulses suitable for widespread use in Carbon-13 spectroscopy on the majority of available probes.

We study multiple-spin coherence transfers in linear Ising spin chains with nearest neighbor couplings. These constitute a model for efficient information transfers in future quantum computing devices and for many multi-dimensional experiments for the assignment of complex spectra in nuclear magnetic resonance spectroscopy. We complement prior analytic techniques for multiple-spin coherence transfers with a systematic numerical study where we obtain strong evidence that a certain analytically-motivated family of restricted controls is sufficient for time-optimality. In the case of a linear three-spin system, additional evidence suggests that prior analytic pulse sequences using this family of restricted controls are time-optimal even for arbitrary local controls. In addition, we compare the pulse sequences for linear Ising spin chains to pulse sequences for more realistic spin systems with additional long-range couplings between non-adjacent spins. We experimentally implement the derived pulse sequences in three and four spin systems and demonstrate that they are applicable in realistic settings under relaxation and experimental imperfections-in particular-by deriving broadband pulse sequences which are robust with respect to frequency offsets., Comment: 11 pages

We present robust radio frequency (rf) pulses that tolerate a factor of six inhomogeneity in the B1 field, significantly enhancing the potential of toroid cavity resonators for NMR spectroscopic applications. Both point-to-point (PP) and unitary rotation (UR) pulses were optimized for excitation, inversion, and refocusing using the gradient ascent pulse engineering (GRAPE) algorithm based on optimal control theory. In addition, the optimized parameterization (OP) algorithm applied to the adiabatic BIR-4 UR pulse scheme enabled ultra-short (50 microsec) pulses with acceptable performance compared to standard implementations. OP also discovered a new class of non-adiabatic pulse shapes with improved performance within the BIR-4 framework. However, none of the OP-BIR4 pulses are competitive with the more generally optimized UR pulses. The advantages of the new pulses are demonstrated in simulations and experiments. In particular, the DQF COSY result presented here represents the first implementation of 2D NMR spectroscopy using a toroid probe., Comment: 32 pages, 8 figures pdfeTeX, Version 3.141592-1.21a-2.2 (Web2C 7.5.4) submitted to Journal of Magnetic Resonance

The repertoire of problems theoretically solvable by a quantum computer recently expanded to include the approximate evaluation of knot invariants, specifically the Jones polynomial. The experimental implementation of this evaluation, however, involves many known experimental challenges. Here we present experimental results for a small-scale approximate evaluation of the Jones Polynomial by nuclear-magnetic resonance (NMR), in addition we show how to escape from the limitations of NMR approaches that employ pseudo pure states. Specifically, we use two spin 1/2 nuclei of natural abundance chloroform and apply a sequence of unitary transforms representing the Trefoil Knot, the Figure Eight Knot and the Borromean Rings. After measuring the state of the molecule in each case, we are able to estimate the value of the Jones Polynomial for each of the knots., Comment: Presented in part at the ENC, Daytona Beach, FL, U.S.A., 22 April to 27 April 2007)

A novel quantum pattern recognition scheme is presented, which combines the idea of a classic Hopfield neural network with adiabatic quantum computation. Both the input and the memorized patterns are represented by means of the problem Hamiltonian. In contrast to classic neural networks, the algorithm can return a quantum superposition of multiple recognized patterns. A proof of principle for the algorithm for two qubits is provided using a liquid state NMR quantum computer., Comment: updated version, Journal-ref added

We present a method of using a nuclear magnetic resonance computer to solve the Deutsch-Jozsa problem in which: (1) the number of molecules in the NMR sample is irrelevant to the number of qubits available to an NMR quantum computer, and (2) the initial state is chosen to be the state of thermal equilibrium, thereby avoiding the preparation of pseudopure states and the resulting exponential loss of signal as the number of qubits increases. The algorithm is described along with its experimental implementation using four active qubits. As expected, measured spectra demonstrate a clear distinction between constant and balanced functions., Comment: including 4 figures

Experiments in coherent nuclear and electron magnetic resonance, and optical spectroscopy correspond to control of quantum mechanical ensembles, guiding them from initial to final target states by unitary transformations. The control inputs (pulse sequences) that accomplish these unitary transformations should take as little time as possible so as to minimize the effects of relaxation and decoherence and to optimize the sensitivity of the experiments. Here we give efficient syntheses of various unitary transformations on Ising spin chains of arbitrary length. The efficient realization of the unitary transformations presented here is obtained by computing geodesics on a sphere under a special metric. We show that contrary to the conventional belief, it is possible to propagate a spin order along an Ising spin chain with coupling strength J (in units of Hz), significantly faster than 1/(2J) per step. The methods presented here are expected to be useful for immediate and future applications involving control of spin dynamics in coherent spectroscopy and quantum information processing.

This paper shows how C-numerical-range related new strucures may arise from practical problems in quantum control--and vice versa, how an understanding of these structures helps to tackle hot topics in quantum information. We start out with an overview on the role of C-numerical ranges in current research problems in quantum theory: the quantum mechanical task of maximising the projection of a point on the unitary orbit of an initial state onto a target state C relates to the C-numerical radius of A via maximising the trace function |\tr \{C^\dagger UAU^\dagger\}|. In quantum control of n qubits one may be interested (i) in having U\in SU(2^n) for the entire dynamics, or (ii) in restricting the dynamics to {\em local} operations on each qubit, i.e. to the n-fold tensor product SU(2)\otimes SU(2)\otimes >...\otimes SU(2). Interestingly, the latter then leads to a novel entity, the {\em local} C-numerical range W_{\rm loc}(C,A), whose intricate geometry is neither star-shaped nor simply connected in contrast to the conventional C-numerical range. This is shown in the accompanying paper (math-ph/0702005). We present novel applications of the C-numerical range in quantum control assisted by gradient flows on the local unitary group: (1) they serve as powerful tools for deciding whether a quantum interaction can be inverted in time (in a sense generalising Hahn's famous spin echo); (2) they allow for optimising witnesses of quantum entanglement. We conclude by relating the relative C-numerical range to problems of constrained quantum optimisation, for which we also give Lagrange-type gradient flow algorithms., Comment: update relating to math-ph/0702005

What is the time-optimal way of realizing quantum operations? Here, we show how important instances of this problem can be related to the study of shortest paths on the surface of a sphere under a special metric. Specifically, we provide an efficient synthesis of a controlled NOT (CNOT) gate between qubits coupled indirectly via Ising-type couplings to a third spin. Our implementation of the CNOT gate is more than twice as fast as conventional approaches. The pulse sequences for efficient manipulation of our coupled spin system are obtained by explicit computation of geodesics on a sphere under the special metric. These methods are also used for the efficient synthesis of indirect couplings and of the Toffoli gate. We provide experimental realizations of the presented methods on a linear three-spin chain with Ising couplings.