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Quantum computers are special purpose machines that are expected to be particularly useful in simulating strongly correlated chemical systems. The quantum computer excels at treating a moderate number of orbitals within an active space in a fully quantum mechanical manner. We present a quantum phase estimation calculation on F 2 in a (2,2) active space on Rigetti's Aspen-11 QPU. While this is a promising start, it also underlines the need for carefully selecting the orbital spaces treated by the quantum computer. In this work, a scheme for selecting such an active space automatically is described and simulated results obtained using both the quantum phase estimation (QPE) and variational quantum eigensolver (VQE) algorithms are presented and combined with a subtractive method to enable accurate description of the environment. The active occupied space is selected from orbitals localized on the chemically relevant fragment of the molecule, while the corresponding virtual space is chosen based on the magnitude of interactions with the occupied space calculated from perturbation theory. This protocol is then applied to two chemical systems of pharmaceutical relevance: the enzyme [Fe] hydrogenase and the photosenzitizer temoporfin. While the sizes of the active spaces currently amenable to a quantum computational treatment are not enough to demonstrate quantum advantage, the procedure outlined here is applicable to any active space size, including those that are outside the reach of classical computation., (© 2022 Wiley Periodicals LLC.)

Minimizing the resources required to build logic gates into useful processing circuits is key to realizing quantum computers. Although the salient features of a quantum computer have been shown in proof-of-principle experiments, difficulties in scaling quantum systems have made more complex operations intractable. This is exemplified in the classical Fredkin (controlled-SWAP) gate for which, despite theoretical proposals, no quantum analog has been realized. By adding control to the SWAP unitary, we use photonic qubit logic to demonstrate the first quantum Fredkin gate, which promises many applications in quantum information and measurement. We implement example algorithms and generate the highest-fidelity three-photon Greenberger-Horne-Zeilinger states to date. The technique we use allows one to add a control operation to a black-box unitary, something that is impossible in the standard circuit model. Our experiment represents the first use of this technique to control a two-qubit operation and paves the way for larger controlled circuits to be realized efficiently.

Hückel molecular orbital (HMO) theory provides a semi-empirical treatment of the electronic structure in conjugated π-electronic systems. A scalable system-agnostic execution of HMO theory on a quantum computer is reported here based on a variational quantum deflation (VQD) algorithm for excited state quantum simulation. A compact encoding scheme is proposed here that provides an exponential advantage over the direct mapping and allows for quantum simulation of the HMO model for systems with up to 2n conjugated centers with n qubits. The transformation of the Hückel Hamiltonian to qubit space is achieved by two different strategies: an iterative refinement transformation and the Frobenius-inner-product-based transformation. These methods are tested on a series of linear, cyclic, and hetero-nuclear conjugated π-electronic systems. The molecular orbital energy levels and wavefunctions from the quantum simulation are in excellent agreement with the exact classical results. However, the higher excited states of large systems are found to suffer from error accumulation in the VQD simulation. This is mitigated by formulating a variant of VQD that exploits the symmetry of the Hamiltonian. This strategy has been successfully demonstrated for the quantum simulation of C60 fullerene containing 680 Pauli strings encoded on six qubits. The methods developed in this work are easily adaptable to similar problems of different complexity in other fields of research. [ABSTRACT FROM AUTHOR]

The electronic energies of molecules have been successfully evaluated on quantum computers. However, more attention is paid to the dynamics simulation of molecules in practical applications. Based on the variational quantum eigensolver (VQE) algorithm, Fedorov et al. proposed a correlated sampling (CS) method and demonstrated the vibrational dynamics of H2 molecules [J. Chem. Phys. 154, 164103 (2021)]. In this study, we have developed a quantum approach by extending the CS method based on the VQE algorithm (labeled eCS-VQE) for simulating chemical reaction dynamics. First, the CS method is extended to the three-dimensional cases for calculation of first-order energy gradients, and then, it is further generalized to calculate the second-order gradients of energies. By calculating atomic forces and vibrational frequencies for H2, LiH, H+ + H2, and Cl− + CH3Cl systems, we have seen that the approach has achieved the CCSD level of accuracy. Thus, we have simulated dynamics processes for two typical chemical reactions, hydrogen exchange and chlorine substitution, and obtained high-precision reaction dynamics trajectories consistent with the classical methods. Our eCS-VQE approach, as measurement expectations and ground-state wave functions can be reused, is less demanding in quantum computing resources and is, therefore, a feasible means for the dynamics simulation of chemical reactions on the current noisy intermediate-scale quantum-era quantum devices. [ABSTRACT FROM AUTHOR]

We present a scalable method for learning local quantum channels using local expectation values measured on a single state—their steady state. Our method is inspired by the algorithms for learning local Hamiltonians from their ground states. For it to succeed, the steady state must be non-trivial, and therefore the channel needs to be non-unital. Such non-unital channels are readily implementable on present day quantum computers using mid-circuit measurements or RESET gates. We demonstrate that the full structure of such channels is encoded in their steady states, and can be learned efficiently using only the expectation values of local observables on these states. We emphasize two immediate applications to illustrate our approach: (i) Using engineered dissipative dynamics, we offer a straightforward way to assess the accuracy of a given noise model in a regime where all qubits are actively utilized for a significant duration. (ii) Given a parameterized noise model for the entire system, our method can learn its underlying parameters. We demonstrate both applications using numerical simulations and experimental trials conducted on an IBMQ machine. [ABSTRACT FROM AUTHOR]

Quantum computing is an exciting field that uses quantum principles, such as quantum superposition and entanglement, to tackle complex computational problems. Superconducting quantum circuits, based on Josephson junctions, is one of the most promising physical realizations to achieve the long-term goal of building fault-tolerant quantum computers. The past decade has witnessed the rapid development of this field, where many intermediate-scale multi-qubit experiments emerged to simulate nonequilibrium quantum many-body dynamics that are challenging for classical computers. Here, we review the basic concepts of superconducting quantum simulation and their recent experimental progress in exploring exotic nonequilibrium quantum phenomena emerging in strongly interacting many-body systems, e.g., many-body localization, quantum many-body scars, and discrete time crystals. We further discuss the prospects of quantum simulation experiments to truly solve open problems in nonequilibrium many-body systems. [ABSTRACT FROM AUTHOR]

Nuclear quantum phenomena beyond the Born–Oppenheimer approximation are known to play an important role in a growing number of chemical and biological processes. While there exists no unique consensus on a rigorous and efficient implementation of coupled electron–nuclear quantum dynamics, it is recognized that these problems scale exponentially with system size on classical processors and, therefore, may benefit from quantum computing implementations. Here, we introduce a methodology for the efficient quantum treatment of the electron–nuclear problem on near-term quantum computers, based upon the Nuclear–Electronic Orbital (NEO) approach. We generalize the electronic two-qubit tapering scheme to include nuclei by exploiting symmetries inherent in the NEO framework, thereby reducing the Hamiltonian dimension, number of qubits, gates, and measurements needed for calculations. We also develop parameter transfer and initialization techniques, which improve convergence behavior relative to conventional initialization. These techniques are applied to H2 and malonaldehyde for which results agree with NEO full configuration interaction and NEO complete active space configuration interaction benchmarks for ground state energy to within 10−6 hartree and entanglement entropy to within 10−4. These implementations therefore significantly reduce resource requirements for full quantum simulations of molecules on near-term quantum devices while maintaining high accuracy. [ABSTRACT FROM AUTHOR]

To share images securely in the network, this paper proposes a multiparty sharing of quantum images scheme based on the basic theory of quantum state sharing. According to the number of qubits within the shared quantum image and involved participants, the product state of a certain number of maximal entanglement GHZ state with specific qubits has been chosen to act as quantum channel. To achieve the process of quantum image sharing, the dealer Alice performs local unitary operations of the Controlled-NOT gate and Hadamard gate as well as single-qubit measurement operation, and other assistant participants perform single-qubit measurement operation. On basis of Alice's and other participants' measurement results, the assigned participant can reconstruct the shared quantum image on his local qubits via performing local unitary operations. Since all participants in present scheme only need perform the single-qubit measurement operations, it makes the present scheme more realizable than former similar schemes. The comparisons illustrate that the present scheme possesses higher qubit efficiency. Security analysis proves that the present scheme is immune to the intercept-resend and entangled probe attacks of a third party. [ABSTRACT FROM AUTHOR]

Context: By using the DFT theory, the orbital energies of twenty-five ionic liquids were estimated. To comprehend their molecular stability and chemical reactivity, the orbital energy values, orbital energy gap (HOMO–LUMO energy gap), chemical hardness (η), chemical softness (S), electronegativity (χ), and electrophilicity index (ω) were computed. The interaction energies between all of the cations and anions under study were then computed and examined. Finally, using quantum chemical calculations, the molecular polarity of all 25 ionic liquids was examined using the sigma profile and sigma potential. Methods: Using the lowest orbital energy of the molecules, HF/6-31G* level of theory quantum chemical calculation were carried out using the MOLDEN and GAUSSIAN03 software. The B3LYP DFT approach produced a COSMO file that contained the species optimal SCD. [ABSTRACT FROM AUTHOR]

Time evolution of the populations of spin states coupled with bosons, which can be a model of photosynthetic excitation energy transfer of dye molecules surrounded by proteins, is simulated using the projected-variational quantum dynamics algorithm. By a transformation of the Hamiltonian describing the spin-boson model into the one-dimensional nearest-neighbor form, it is shown that the spin-boson model can be simulated using the sequential ansatz even if a quantum computer has limited connectivity. The optimization of the parametrized quantum circuits is performed by the gradient descent method on a classical computer using the automatic differentiation, and the population of the spins is simulated on a noisy intermediate-scale quantum computer. The error originating from the quantum computing is mitigated by the Clifford data regression, in which the noise channel is estimated using the data obtained from all the time steps. [ABSTRACT FROM AUTHOR]

Underwater localization is considered a critical technique in the Internet of Underwater Things (IoUTs). However, acquiring accurate location information is challenging due to the heterogeneous underwater environment and the hostile propagation of acoustic signals, especially when using received signal strength (RSS)-based techniques. Additionally, most current solutions rely on strict mathematical expressions, which limits their effectiveness in certain scenarios. To address these challenges, this study develops a quantum-behaved meta-heuristic algorithm, called quantum enhanced Harris hawks optimization (QEHHO), to solve the localization problem without requiring strict mathematical assumptions. The algorithm builds on the original Harris hawks optimization (HHO) by integrating four strategies into various phases to avoid local minima. The initiation phase incorporates good point set theory and quantum computing to enhance the population quality, while a random nonlinear technique is introduced in the transition phase to expand the exploration region in the early stages. A correction mechanism and exploration enhancement combining the slime mold algorithm (SMA) and quasi-oppositional learning (QOL) are further developed to find an optimal solution. Furthermore, the RSS-based Cramér–Raolower bound (CRLB) is derived to evaluate the effectiveness of QEHHO. Simulation results demonstrate the superior performance of QEHHO under various conditions compared to other state-of-the-art closed-form-expression- and meta-heuristic-based solutions. [ABSTRACT FROM AUTHOR]

Game theory has been studied extensively in recent centuries as a set of formal mathematical strategies for optimal decision making. This discipline improved its efficiency with the arrival, in the 20th century, of digital computer science. However, the computational limitations related to exponential time type problems in digital processors, triggered the search for more efficient alternatives. One of these choices is quantum computing. Certainly, quantum processors seem to be able to solve some of these complex problems, at least in theory. For this reason, in recent times, many research works have emerged related to the field of quantum game theory. In this paper we review the main studies about the subject, including operational requirements and implementation details. In addition, we describe various quantum games, their design strategy, and the used supporting tools. We also present the still open debate linked to the interpretation of the transformations of classical algorithms in fundamental game theory to their quantum version, with special attention to the Nash equilibrium. [ABSTRACT FROM AUTHOR]

DNA is a complex multi-resolution molecule whose theoretical study is a challenge. Its intrinsic multiscale nature requires chemistry and quantum physics to understand the structure and quantum informatics to explain its operation as a perfect quantum computer. Here, we present theoretical results of DNA that allow a better description of its structure and the operation process in the transmission, coding, and decoding of genetic information. Aromaticity is explained by the oscillatory resonant quantum state of correlated electron and hole pairs due to the quantized molecular vibrational energy acting as an attractive force. The correlated pairs form a supercurrent in the nitrogenous bases in a single band π -molecular orbital (π -MO). The MO wave function (Φ) is assumed to be the linear combination of the n constituent atomic orbitals. The central Hydrogen bond between Adenine (A) and Thymine (T) or Guanine (G) and Cytosine (C) functions like an ideal Josephson Junction. The approach of a Josephson Effect between two superconductors is correctly described, as well as the condensation of the nitrogenous bases to obtain the two entangled quantum states that form the qubit. Combining the quantum state of the composite system with the classical information, RNA polymerase teleports one of the four Bell states. DNA is a perfect quantum computer. [ABSTRACT FROM AUTHOR]

Entanglement serves as the resource to empower quantum computing. Recent progress has highlighted its positive impact on learning quantum dynamics, wherein the integration of entanglement into quantum operations or measurements of quantum machine learning (QML) models leads to substantial reductions in training data size, surpassing a specified prediction error threshold. However, an analytical understanding of how the entanglement degree in data affects model performance remains elusive. In this study, we address this knowledge gap by establishing a quantum no-free-lunch (NFL) theorem for learning quantum dynamics using entangled data. Contrary to previous findings, we prove that the impact of entangled data on prediction error exhibits a dual effect, depending on the number of permitted measurements. With a sufficient number of measurements, increasing the entanglement of training data consistently reduces the prediction error or decreases the required size of the training data to achieve the same prediction error. Conversely, when few measurements are allowed, employing highly entangled data could lead to an increased prediction error. The achieved results provide critical guidance for designing advanced QML protocols, especially for those tailored for execution on early-stage quantum computers with limited access to quantum resources. Given that entangled states can store more information than unentangled ones, it would be natural to assume that highly-entangled data would always enhance capabilities of quantum machine learning models. Here, the authors show that this is not the case, in particular when the allowed number of measurements to incoherently learn quantum dynamics is low [ABSTRACT FROM AUTHOR]

With a growing interest in quantum technology globally, there is an increasing need for accessing relevant physical systems for education and research. In this paper we introduce a commercially available on-site quantum computer utilizing superconducting technology, offering insights into its fundamental hardware and software components. We show how this system can be used in education to teach quantum concepts and deepen understanding of quantum theory and quantum computing. It offers learning opportunities for future talent and contributes to technological progress. Additionally, we demonstrate its use in research by replicating some notable recent achievements. [ABSTRACT FROM AUTHOR]

The properties of strongly-coupled lattice gauge theories at finite density as well as in real time have largely eluded first-principles studies on the lattice. This is due to the failure of importance sampling for systems with a complex action. An alternative to evade the sign problem is quantum simulation. Although still in its infancy, a lot of progress has been made in devising algorithms to address these problems. In particular, recent efforts have addressed the question of how to produce thermal Gibbs states on a quantum computer. In this study, we apply a variational quantum algorithm to a low-dimensional model which has a local abelian gauge symmetry. We demonstrate how this approach can be applied to obtain information regarding the phase diagram as well as unequal-time correlation functions at non-zero temperature. [ABSTRACT FROM AUTHOR]

We discuss principles of measuring a topological charge or representation that travels in a set of anyons. We describe the procedure and analyze how it works for different values of theory parameters. We also show how it can be modified to be more efficient. [ABSTRACT FROM AUTHOR]

In recent years, Noisy Intermediate Scale Quantum (NISQ) computers have been widely used as a test bed for quantum dynamics. This work provides a new hardware-agnostic framework for modelling the Markovian noise and dynamics of quantum systems in benchmark procedures used to evaluate device performance. As an accessible example, the application and performance of this framework is demonstrated on IBM Quantum computers. This framework serves to extract multiple calibration parameters simultaneously through a simplified process which is more reliable than previously studied calibration experiments and tomographic procedures. Additionally, this method allows for real-time calibration of several hardware parameters of a quantum computer within a comprehensive procedure, providing quantitative insight into the performance of each device to be accounted for in future quantum circuits. The framework proposed here has the additional benefit of highlighting the consistency among qubit pairs when extracting parameters, which leads to a less computationally expensive calibration process than evaluating the entire device at once. [ABSTRACT FROM AUTHOR]

Finding the ground state of a quantum many-body system is a fundamental problem in quantum physics. In this work, we give a classical machine learning (ML) algorithm for predicting ground state properties with an inductive bias encoding geometric locality. The proposed ML model can efficiently predict ground state properties of an n-qubit gapped local Hamiltonian after learning from only O (log (n)) data about other Hamiltonians in the same quantum phase of matter. This improves substantially upon previous results that require O ( n c ) data for a large constant c. Furthermore, the training and prediction time of the proposed ML model scale as O (n log n) in the number of qubits n. Numerical experiments on physical systems with up to 45 qubits confirm the favorable scaling in predicting ground state properties using a small training dataset. Recent work proposed a machine learning algorithm for predicting ground state properties of quantum many-body systems that outperforms any non-learning classical algorithm but requires extensive training data. Lewis et al. present an improved algorithm with exponentially reduced training data requirements. [ABSTRACT FROM AUTHOR]

The security of most quantum signatures cannot be proved with security model under chosen-message attack. No formal proof can prove that their security is fully dependent on the basic quantum theory. Based on the orthogonal quantum state and key-controlled quantum hash function, an arbitrated quantum signature is proposed. In this scheme, the signatory produces the quantum signature by quantum-encrypting the output of key-controlled quantum hash function. The signature verification is performed by decrypting the signed message and comparing the decrypted message with the output of the key-controlled quantum hash function. The security of the proposed scheme depends on the indistinguishability of the unknown quantum sequence. Its unforgeability can be formally proved with security model under chosen-message attack. Therefore, its security can be supported by the formal proof. On the other hand, in the proposed scheme, no entangled state is used. It also has better qubit efficiency as well. [ABSTRACT FROM AUTHOR]

In recent years, quantum Boltzmann methods have gained more and more interest as they might provide a viable path toward solving fluid dynamics problems on quantum computers once this emerging compute technology has matured and fault-tolerant many-qubit systems become available. The major challenge in developing a start-to-end quantum algorithm for the Boltzmann equation consists in encoding relevant data efficiently in quantum bits (qubits) and formulating the streaming, collision and reflection steps as one comprehensive unitary operation. The current literature on quantum Boltzmann methods mostly proposes data encodings and quantum primitives for individual phases of the pipeline, assuming that they can be combined to a full algorithm. In this paper, we disprove this assumption by showing that for encodings commonly discussed in the literature, either the collision or the streaming step cannot be unitary. Building on this landmark result, we propose a novel encoding in which the number of qubits used to encode the velocity depends on the number of time steps one wishes to simulate, with the upper bound depending on the total number of grid points. In light of the non-unitarity result established for existing encodings, our encoding method is to the best of our knowledge the only one currently known that can be used for a start-to-end quantum Boltzmann solver where both the collision and the streaming step are implemented as a unitary operation. [ABSTRACT FROM AUTHOR]

Accurate and efficient methods to simulate nonadiabatic and quantum nuclear effects in high-dimensional and dissipative systems are crucial for the prediction of chemical dynamics in the condensed phase. To facilitate effective development, code sharing, and uptake of newly developed dynamics methods, it is important that software implementations can be easily accessed and built upon. Using the Julia programming language, we have developed the NQCDynamics.jl package, which provides a framework for established and emerging methods for performing semiclassical and mixed quantum–classical dynamics in the condensed phase. The code provides several interfaces to existing atomistic simulation frameworks, electronic structure codes, and machine learning representations. In addition to the existing methods, the package provides infrastructure for developing and deploying new dynamics methods, which we hope will benefit reproducibility and code sharing in the field of condensed phase quantum dynamics. Herein, we present our code design choices and the specific Julia programming features from which they benefit. We further demonstrate the capabilities of the package on two examples of chemical dynamics in the condensed phase: the population dynamics of the spin-boson model as described by a wide variety of semiclassical and mixed quantum–classical nonadiabatic methods and the reactive scattering of H2 on Ag(111) using the molecular dynamics with electronic friction method. Together, they exemplify the broad scope of the package to study effective model Hamiltonians and realistic atomistic systems. [ABSTRACT FROM AUTHOR]

Quantum physics has some unique properties, such as quantum entanglement and quantum superposition. Encryption algorithms designed based on quantum physical properties usually have higher security than classical computing. Applying quantum cryptography to data retrieval can realize cloud database encryption of quantum information. We propose a cloud ciphertext retrieval scheme, which combines quantum encryption and quantum search algorithm to ensure the privacy of data while the server completes information retrieval. In this scheme, the data are stored in the form of qubits string and placed in the quantum superposition state. We establish the mapping relationship between classical information and quantum states. Our scheme solves the problem of a large amount of computing and lack of sufficient computing resources at the client, assigns computing tasks to servers with sufficient resources, and ensures the security of information. [ABSTRACT FROM AUTHOR]

The Kibble-Zurek mechanism (KZM) captures the essential physics of nonequilibrium quantum phase transitions with symmetry breaking. KZM predicts a universal scaling power law for the defect density which is fully determined by the system’s critical exponents at equilibrium and the quenching rate. We experimentally tested the KZM for the simplest quantum case, a single qubit under the Landau-Zener evolution, on an open access IBM quantum computer (IBM-Q). We find that for this simple one-qubit model, experimental data validates the central KZM assumption of the adiabatic-impulse approximation for a well isolated qubit. Furthermore, we report on extensive IBM-Q experiments on individual qubits embedded in different circuit environments and topologies, separately elucidating the role of crosstalk between qubits and the increasing decoherence effects associated with the quantum circuit depth on the KZM predictions. Our results strongly suggest that increasing circuit depth acts as a decoherence source, producing a rapid deviation of experimental data from theoretical unitary predictions. [ABSTRACT FROM AUTHOR]

Quantum computing promises to have a tremendous advantage over its classical counterpart for solving computationally hard problems, yet remains in a relatively early stage for practical applications owing to the limited capabilities of today's quantum computers. The approach to the special purposes of quantum computers by exploiting the special-purpose physics-inspired or quantum-inspired computers is emerging as a novel alternative to its quantum counterpart in tackling hard problems in high-performance computing. Inspired by physics, the Ising machine — a type of special-purpose computer that implements or emulates physics or quantum effects of the Ising model to speed up finding solutions to optimization problems — has recently become an active research area in the field of combinatorial optimization. This paper is to address the key enabling software and hardware technology underlying physics-inspired optimization using Ising machines in the unified quadratic unconstrained binary optimization (QUBO) framework for modeling and solving computationally hard combinatorial optimization problems, and with an aim to shed some light on the challenges and opportunities associated with the ever-growing landscape of this novel high-performance computing. [ABSTRACT FROM AUTHOR]

Parallel operations are important for both near‐term quantum computers and larger‐scale fault‐tolerant machines because they reduce execution time and qubit idling. This study proposes and implements a pairwise‐parallel gate scheme on a trapped‐ion quantum computer. The gates are driven simultaneously on different sets of orthogonal motional modes of a trapped‐ion chain. This work demonstrates the utility of this scheme by creating a Greenberger‐Horne‐Zeilinger (GHZ) state in one step using parallel gates with one overlapping qubit. It also shows its advantage for circuits by implementing a digital quantum simulation of the dynamics of an interacting spin system, the transverse‐field Ising model. This method effectively extends the available gate depth by up to two times with no overhead when no overlapping qubit is involved, apart from additional initial cooling. This scheme can be easily applied to different trapped‐ion qubits and gate schemes, broadly enhancing the capabilities of trapped‐ion quantum computers. [ABSTRACT FROM AUTHOR]

[Display omitted] Amidst the rapid advancements in experimental technology, noise-intermediate-scale quantum (NISQ) devices have become increasingly programmable, offering versatile opportunities to leverage quantum computational advantage. Here we explore the intricate dynamics of programmable NISQ devices for quantum reservoir computing. Using a genetic algorithm to configure the quantum reservoir dynamics, we systematically enhance the learning performance. Remarkably, a single configured quantum reservoir can simultaneously learn multiple tasks, including a synthetic oscillatory network of transcriptional regulators, chaotic motifs in gene regulatory networks, and the fractional-order Chua's circuit. Our configured quantum reservoir computing yields highly precise predictions for these learning tasks, outperforming classical reservoir computing. We also test the configured quantum reservoir computing in foreign exchange (FX) market applications and demonstrate its capability to capture the stochastic evolution of the exchange rates with significantly greater accuracy than classical reservoir computing approaches. Through comparison with classical reservoir computing, we highlight the unique role of quantum coherence in the quantum reservoir, which underpins its exceptional learning performance. Our findings suggest the exciting potential of configured quantum reservoir computing for exploiting the quantum computation power of NISQ devices in developing artificial general intelligence. [ABSTRACT FROM AUTHOR]

Integrated information theory (IIT) is a powerful tool that provides a framework for evaluating consciousness, whether in the human brain or in other systems. In Computing the Integrated Information of a Quantum Mechanism, the authors extend IIT from digital gates to a quantum CNOT logic gate, and while they explicitly distinguish the analysis from quantum theories of consciousness, they nonetheless provide an analytical road map for extending IIT not only to other quantum mechanisms but also to hybrid computing structures like the brain. This comment provides additional information relating to an adiabatic quantum mechanical energy routing mechanism that is part of a hybrid biological computer that provides an action selection mechanism, which has been hypothesized to exist in the human brain and for which predicted evidence has been subsequently observed, and it hopes to motivate the further evaluation and extension of IIT not only to that hypothesized mechanism but also to other hybrid biological computers. [ABSTRACT FROM AUTHOR]

Quantum computers have shown promise in simulating quantum many-body physics, even under the constraints that arise due to limitations in the number of qubits involved. Considering the effects of tunneling, backscattering and the accumulation of a geometric phase, we see the possibility of simulating weak anti-localization (WAL), in addition to the weak localization in a multi-path system. We show how a quantum simulator works through the construction of multiple scattering centers in closed paths and tunnel barriers yielding a large return probability (Pr) for electrons. A combination of inter- and intra-layer tunneling in a double-path circuit creates a phase reversal and subsequently the WAL effect. Incorporation of such arrangements of tunnel barriers can add a geometric phase and demonstrate Aharonov–Bohm-type Φ0 and Φ0/2 oscillations in a ring and a tube, respectively. Finally, the angle dependence of Pr shows a phase reversal in the two-path circuit caused by the inter-path resonance. [ABSTRACT FROM AUTHOR]

Ab initio molecular dynamics (AIMD) is a valuable technique for studying molecules and materials at finite temperatures where the nuclei evolve on potential energy surfaces obtained from accurate electronic structure calculations. In this work, we present an approach to running AIMD simulations on noisy intermediate-scale quantum (NISQ)-era quantum computers. The electronic energies are calculated on a quantum computer using the variational quantum eigensolver (VQE) method. Algorithms for computation of analytical gradients entirely on a quantum computer require quantum fault-tolerant hardware, which is beyond NISQ-era. Therefore, we compute the energy gradients numerically using finite differences, the Hellmann–Feynman theorem, and a correlated sampling technique. This method only requires additional classical calculations of electron integrals for each degree of freedom without any additional computations on a quantum computer beyond the initial VQE run. As a proof of concept, AIMD simulations are demonstrated for the H2 molecule on IBM quantum devices. In addition, we demonstrate the validity of the method for larger molecules using full configuration interaction wave functions. As quantum hardware and noise mitigation techniques continue to improve, the method can be utilized for studying larger molecular systems. [ABSTRACT FROM AUTHOR]

Quantum Fisher information matrix (QFIM) is a fundamental quantity in quantum physics, which closely links to diverse fields such as quantum metrology, phase transitions, entanglement witness, and quantum speed limit. It is crucial in quantum parameter estimation, central to the ultimate Cramér-Rao bound. Recently, the evaluation of QFIM using quantum circuit algorithms has been proposed for systems with multiplicative parameters Hamiltonian. However, systems with generic Hamiltonians still lack these proposed schemes. This work introduces a quantum-circuit-based approach for evaluating QFIM with generic Hamiltonians. We present a time-dependent stochastic parameter-shift rule for the derivatives of evolved quantum states, whereby the QFIM can be obtained. The scheme can be executed in universal quantum computers under the family of parameterized gates. In magnetic field estimations, we demonstrate the consistency between the results obtained from the stochastic parameter-shift rule and the exact results, while the results obtained from a standard parameter-shift rule slightly deviate from the exact ones. Our work sheds new light on studying QFIM with generic Hamiltonians using quantum circuit algorithms. [ABSTRACT FROM AUTHOR]

Szegedy developed a generic method for quantizing classical algorithms based on random walks (Szegedy, in: 45th annual IEEE Symposium on Foundations of Computer Science, pp 32–41, 2004. https://doi.org/10.1109/FOCS.2004.53). A major contribution of his work was the construction of a walk unitary for any reversible random walk. Such unitary posses two crucial properties: its eigenvector with eigenphase 0 is a quantum sample of the limiting distribution of the random walk and its eigenphase gap is quadratically larger than the spectral gap of the random walk. It was an open question if it is possible to generalize Szegedy's quantization method for stochastic maps to quantum maps. We answer this in the affirmative by presenting an explicit construction of a Szegedy walk unitary for detailed balanced Lindbladians—generators of quantum Markov semigroups—and detailed balanced quantum channels. We prove that our Szegedy walk unitary has a purification of the fixed point of the Lindbladian as eigenvector with eigenphase 0 and that its eigenphase gap is quadratically larger than the spectral gap of the Lindbladian. To construct the walk unitary we leverage a canonical form for detailed balanced Lindbladians showing that they are structurally related to Davies generators. We also explain how the quantization method for Lindbladians can be applied to quantum channels. We give an efficient quantum algorithm for quantizing Davies generators that describe many important dynamics of open quantum systems, for instance, the relaxation of a quantum system coupled to a bath. Our algorithm extends known techniques for simulating dynamics of quantum systems on a quantum computer. [ABSTRACT FROM AUTHOR]

In the era of Large Language Models, there is still potential for improvement in current Natural Language Processing (NLP) methods in terms of verifiability and consistency. NLP classical approaches are computationally expensive due to their high-power consumption, computing power, and storage requirements. Another computationally efficient approach to NLP is categorical quantum mechanics, which combines grammatical structure and individual word meaning to deduce the sentence meaning. As both quantum theory and natural language use vector space to describe states which are more efficient on quantum hardware, QNLP models can achieve up to quadratic speedup over classical direct calculation methods. In recent years, there is significant progress in utilizing quantum features such as superposition and entanglement to represent linguistic meaning on quantum hardware. Earlier research work has already demonstrated QNLP's potential quantum advantage in terms of speeding up search, enhancing classification tasks' accuracy and providing an exponentially large quantum state space in which complex linguistic structures can be efficiently embedded. In this work, a QNLP model is used to determine if two sentences are related to the same topic or not. By comparing our QNLP model to a classical tensor network-based one, our model improved training accuracy by up to 45% and validation accuracy by 35%, respectively. The QNLP model convergence is also studied when varying: first, the problem size, second, parametrized quantum circuits used for model's training, and last, the backend quantum simulator noise model. The experimental results show that strongly entangled ansatz designs result in fastest model convergence. [ABSTRACT FROM AUTHOR]

Comprehensive inquisition of wireless communication with flexible quantum electronics and physics can be considered as one of the blooming technology. Quantum Cryptography which extends from combination of quantum electronics and physics is one of the best technology that helps to transfer data securely between various user's, due to its rudimentary concept of Quantum Key Distribution (QKD). There are two major concerns in the communication. The first concern is for the data transmission which is frequently carried out through some entity of the cellular network such as Home subscriber Server (HSS) or Gateway (GW), and Evolved Node B(eNB), which is inadvisable to preserve confidentiality of the message. The second concern is, device-to-device (D2D) communication via prose function which is relatively a threat affected path that can be easily affected by the man in the middle (MitM) attack, message drop attack, replay attack, denial of service (DoS) attack, impersonation attack.. To mitigate these threats, this research work is proposing a Secure Authentication Protocol (SAP). The proposed SAP is categorized into 5 phases namely framework of network, enrolment phase, D2D discovery phase, key production—authentication phase and content conveyance phase. Framework of network phase generates function parameters. Enrolment phase registers all user equipment (UE) for verification and also generate an appropriate user application code for respective UE. In this phase, HSS also manages a database that contains detail about all the enrolled. D2D discovery phase allows the UE to discover the neighbors under that proximity area. During the authentication phase, public as well as private secret keys are generated using Elliptic Curve Cryptography (ECC) and Elliptic Curve Diffie-Hellman (ECDH) algorithm. In addition to that, this phase implements hash based message authentication code (HMAC) to create application associated keys. In the last phase of content conveyance, most important step is to share Shared Secret Key (SSK) as it mainly responsible while decrypting original message. To make this transmission very secure, quantum channel is used. Quantum Cryptography plays a vital role in this phase for providing security to whole transmission process at high level. Now a days, advanced optical technologies are also using quantum cryptography to establish secured communication. The performance of the proposed SAP is evaluated and compared with the existing protocols by using multiple evaluation criteria such as cost of operation, computational overhead, storage overhead and energy consumption. This article also provides insights into various security threats such as MitM, replay attack, DoS attack, impersonation attack, known key attack due to use of ECC and ECDH. Also, SAP provides a strong pillar against eavesdropping attack due to quantum cryptography. Also, Bennett and Gilles Brassard (BB84) protocol linked with quantum electronics and physics, place a significant role for creation of quantum channel over classical channel, which took security of SAP at next level. [ABSTRACT FROM AUTHOR]

Constrained optimization problems are ubiquitous in science and industry. Quantum algorithms have shown promise in solving optimization problems, yet none of the current algorithms can effectively handle arbitrary constraints. We introduce a technique that uses quantum Zeno dynamics to solve optimization problems with multiple arbitrary constraints, including inequalities. We show that the dynamics of quantum optimization can be efficiently restricted to the in-constraint subspace on a fault-tolerant quantum computer via repeated projective measurements, requiring only a small number of auxiliary qubits and no post-selection. Our technique has broad applicability, which we demonstrate by incorporating it into the quantum approximate optimization algorithm (QAOA) and variational quantum circuits for optimization. We evaluate our method numerically on portfolio optimization problems with multiple realistic constraints and observe better solution quality and higher in-constraint probability than state-of-the-art techniques. We implement a proof-of-concept demonstration of our method on the Quantinuum H1-2 quantum processor. The paper presents an approach for solving optimization problems with multiple arbitrary constraints on quantum computers by combining quantum Zeno dynamics with common quantum optimization algorithms like QAOA. The number of Zeno measurements required is shown to be independent of the problem size in QAOA. [ABSTRACT FROM AUTHOR]

We use quantum computers to test the foundations of quantum mechanics through quantum algorithms that implement some of the experimental tests as the basis of the theory's postulates. These algorithms can be used as a test of the physical theory under the premise of perfect hardware or as a test of the hardware under the premise that quantum theory is correct. In this work, we show how the algorithms can be used to test the efficacy of a quantum computer in obeying the postulates of quantum mechanics. We study the effect of different types of noise on the results of experimental tests of the postulates. A salient feature of this noise analysis is that it is deeply rooted in the fundamentals of quantum mechanics as it highlights how systematic errors affect the quantumness of the quantum computer. [ABSTRACT FROM AUTHOR]

The technological fields of AI and quantum technology have evolved in parallel, and have demonstrated considerable potential to complement each other. Amalgamation of them refers to the use of AI techniques to develop algorithms for quantum computing (QC) and quantum physics, as well as the use of QC to enhance AI applications. QC has the potential to revolutionize various fields. Controlling quantum systems is notoriously difficult, which is one of the major obstacles standing in the way of widespread use of QC. AI has opened up new avenues for automated control of quantum systems. In particular, the application of AI can provide invaluable insight into the complex and multifaceted domain of quantum physics to accelerate the discovery of quantum physics laws, and can potentially alleviate challenges that have been historically associated with QC and quantum communication. On the other hand, QC can also be used to enhance AI applications. For instance, QC can be used to haste the training of neural networks, which are used in machine learning. Concurrently, a series of advancements in quantum technology can serve to drive innovation in the realm of machine learning by enabling the development of novel algorithms, frameworks, and hardware. This article presents a comprehensive overview on the reciprocal relationship between AI and quantum technology, emphasizing the utility of AI in the field of quantum technology, and the potential of quantum technology to catalyze the evolution of AI. [ABSTRACT FROM AUTHOR]

Once developed for quantum theory, tensor networks (TNs) have been established as a successful machine learning (ML) paradigm. Now, they have been ported back to the quantum realm in the emerging field of quantum ML to assess problems that classical computers are unable to solve efficiently. Their nature at the interface between physics and ML makes TNs easily deployable on quantum computers. In this review article, we shed light on one of the major architectures considered to be predestined for variational quantum ML. In particular, we discuss how layouts like matrix product state, projected entangled pair states, tree tensor networks and multi-scale entanglement renormalization ansatz can be mapped to a quantum computer, how they can be used for ML and data encoding and which implementation techniques improve their performance. [ABSTRACT FROM AUTHOR]

Quantum advantage is when quantum computers can outperform classical computers. One of the first large-scale demonstrations of quantum advantage was recently done by Google running random multi-qubit quantum circuits. While Google's quantum computer took 200 seconds, calculations show that the then-fastest classical supercomputer would have taken 10000 years. Since then, different groups have claimed quantum advantage through other quantum systems. This paper will cover why quantum computers can be faster than classical computers by covering the primary differences between classical computing and quantum computing. Then, we will investigate the Deutsch-Jozsa quantum algorithm and Google's claim of quantum advantage. We will review current research regarding "quantum advantage," tying these events to the use cases covered. Additionally, different quantum algorithms that are theoretically faster than any current quantum algorithms will be analyzed, and we will delve into why this is the case. The covered examples will show methods used to improve quantum computers to provide a significant time difference to achieve a quantum advantage. After that, we make predictions concerning two critical quantum hardware limitations. Finally, we will investigate what the future of quantum advantage entails and some future cases of quantum advantage. [ABSTRACT FROM AUTHOR]

Reservoir computing is a powerful machine learning paradigm for online time series processing. It has reached state-of-the-art performance in tasks such as chaotic time series prediction and continuous speech recognition thanks to its unique combination of high computational power and low training cost which sets it aside from alternatives such as traditionally trained recurrent neural networks, and furthermore is amenable to implementations in dedicated hardware, potentially leading to extremely compact and efficient reservoir computers. Recently the use of random quantum systems has been proposed, leveraging the complexity of quantum dynamics for classical time series processing. Extracting the output from a quantum system without disturbing its state too much is problematic however, and can be expected to become a bottleneck in such approaches. Here we propose a reservoir computing inspired approach to online processing of time series consisting of quantum information, sidestepping the measurement problem. We illustrate its power by generalizing two paradigmatic benchmark tasks from classical reservoir computing to quantum information and introducing a task without a classical analogue where a random system is trained to both create and distribute entanglement between systems that never directly interact. Finally, we discuss partial generalizations where only the input or only the output time series is quantum. [ABSTRACT FROM AUTHOR]

This perspective describes the history, scientific and technology developments of superconducting qubit-based quantum computers, which are currently dominant, particularly with industry vendors. Adopting an engineering viewpoint, it showcases the great diversity of technology options, explains how superconducting qubit chipsets are manufactured, describes some challenges with how qubits are driven by classical electronics, how to improve their fidelities and how their energetic footprint can be optimized. We also briefly describe the current status of so-called NISQ (noisy intermediate scale quantum) computers and the resource estimations to run their potential use cases, particularly for running quantum many-body physics simulations. [ABSTRACT FROM AUTHOR]

In the era of big data, traditional regression models cannot deal with uncertain big data efficiently and accurately. In order to make up for this deficiency, this paper proposes a quantum fuzzy regression model, which uses fuzzy theory to describe the uncertainty in big data sets and uses quantum computing to exponentially improve the efficiency of data set preprocessing and parameter estimation. In this paper, data envelopment analysis (DEA) is used to calculate the degree of importance of each data point. Meanwhile, Harrow, Hassidim and Lloyd (HHL) algorithm and quantum swap circuits are used to improve the efficiency of high-dimensional data matrix calculation. The application of the quantum fuzzy regression model to smallscale financial data proves that its accuracy is greatly improved compared with the quantum regression model. Moreover, due to the introduction of quantum computing, the speed of dealing with high-dimensional data matrix has an exponential improvement compared with the fuzzy regression model. The quantum fuzzy regression model proposed in this paper combines the advantages of fuzzy theory and quantum computing which can efficiently calculate high-dimensional data matrix and complete parameter estimation using quantum computing while retaining the uncertainty in big data. Thus, it is a new model for efficient and accurate big data processing in uncertain environments. [ABSTRACT FROM AUTHOR]

Simulating the real-time dynamics of gauge theories represents a paradigmatic use case to test the hardware capabilities of a quantum computer, since it can involve non-trivial input states' preparation, discretized time evolution, long-distance entanglement, and measurement in a noisy environment. We implemented an algorithm to simulate the real-time dynamics of a few-qubit system that approximates the Schwinger model in the framework of lattice gauge theories, with specific attention to the occurrence of a dynamical quantum phase transition. Limitations in the simulation capabilities on IBM Quantum were imposed by noise affecting the application of single-qubit and two-qubit gates, which combine in the decomposition of Trotter evolution. The experimental results collected in quantum algorithm runs on IBM Quantum were compared with noise models to characterize the performance in the absence of error mitigation. [ABSTRACT FROM AUTHOR]

Most of the existing quantum-inspired models are based on amplitude-phase embedding to model natural language, which maps words into Hilbert space. In quantum-computing theory, the vectors corresponding to quantum states are all complex values, so there is a gap between these two areas. Presently, complex-valued neural networks have been studied, but their practical applications are few, let alone in the downstream tasks of natural language processing such as sentiment analysis and language modeling. In fact, the complex-valued neural network can use the imaginary part information to embed hidden information and can express more complex information, which is suitable for modeling complex natural language. Meanwhile, quantum-inspired models are defined in Hilbert space, which is also a complex space. So it is natural to construct quantum-inspired models based on complex-valued neural networks. Therefore, we propose a new quantum-inspired model for NLP, ComplexQNN, which contains a complex-valued embedding layer, a quantum encoding layer, and a measurement layer. The modules of ComplexQNN are fully based on complex-valued neural networks. It is more in line with quantum-computing theory and easier to transfer to quantum computers in the future to achieve exponential acceleration. We conducted experiments on six sentiment-classification datasets comparing with five classical models (TextCNN, GRU, ELMo, BERT, and RoBERTa). The results show that our model has improved by 10% in accuracy metric compared with TextCNN and GRU, and has competitive experimental results with ELMo, BERT, and RoBERTa. [ABSTRACT FROM AUTHOR]

This work presents a brief review on the modern approaches to data modeling by the methods developed in the quantum physics during the last one hundred years. Quantum computers and computations have already been widely investigated theoretically and attempted in some practical implementations, but methods of quantum data modeling are not yet sufficiently established. A vast range of concepts and methods of quantum mechanics have been tried in many fields of information and behavior sciences, including communications and artificial intelligence, cognition and decision making, sociology and psychology, biology and economics, financial and political studies. The application of quantum methods in areas other than physics is called the quantum-like paradigm, meaning that such approaches may not be related to the physical processes but rather correspond to data modeling by the methods designed for operating in conditions of uncertainty. This review aims to attract attention to the possibilities of these methods of data modeling that can enrich theoretical consideration and be useful for practical purposes in various sciences and applications. [ABSTRACT FROM AUTHOR]

An arbitrary amount of entanglement shared among nodes of a quantum network might be nondistillable if the nodes lack the information on the entangled Bell pairs they share. Making such a system distillable, which is called the superactivation of bound entanglement (BE), was shown to be possible through systematic quantum teleportation between the nodes, requiring the implementation of controlled-gates scaling with the number of nodes. In this work, we show in two scenarios that the superactivation of BE is possible if nodes implement the proposed local quantum Zeno strategies based on only single qubit rotations and simple threshold measurements. In the first scenario we consider, we obtain a two-qubit distillable entanglement system as in the original superactivation proposal. In the second scenario, we show that superactivation can be achieved among the entire network of eight qubits in five nodes. In addition to obtaining all-particle distillable entanglement, the overall entanglement of the system in terms of the sum of bipartite cuts is increased. We also design a general algorithm with variable greediness for optimizing the QZD evolution tasks. Implementing our algorithm for the second scenario, we show that a significant improvement can be obtained by driving the initial BE system into a maximally entangled state. We believe our work contributes to quantum technologies from both practical and fundamental perspectives bridging nonlocality, bound entanglement and the quantum Zeno dynamics among a quantum network. [ABSTRACT FROM AUTHOR]

Hybrid quantum-classical embedding methods for correlated materials simulations provide a path towards potential quantum advantage. However, the required quantum resources arising from the multi-band nature of d and f electron materials remain largely unexplored. Here we compare the performance of different variational quantum eigensolvers in ground state preparation for interacting multi-orbital embedding impurity models, which is the computationally most demanding step in quantum embedding theories. Focusing on adaptive algorithms and models with 8 spin-orbitals, we show that state preparation with fidelities better than 99.9% can be achieved using about 214 shots per measurement circuit. When including gate noise, we observe that parameter optimizations can still be performed if the two-qubit gate error lies below 10−3, which is slightly smaller than current hardware levels. Finally, we measure the ground state energy on IBM and Quantinuum hardware using a converged adaptive ansatz and obtain a relative error of 0.7%. Quantum embedding approaches to simulate condensed matter on quantum computers have been proposed, yet applications are limited to simplest models. The authors perform a systematic study of ground state preparation with variational quantum algorithms for correlated multi-orbital impurity models, addressing key issues toward real materials simulations. [ABSTRACT FROM AUTHOR]

This is a review of recent research exploring and extending present-day quantum computing capabilities for fusion energy science applications. We begin with a brief tutorial on both ideal and open quantum dynamics, universal quantum computation, and quantum algorithms. Then, we explore the topic of using quantum computers to simulate both linear and nonlinear dynamics in greater detail. Because quantum computers can only efficiently perform linear operations on the quantum state, it is challenging to perform nonlinear operations that are generically required to describe the nonlinear differential equations of interest. In this work, we extend previous results on embedding nonlinear systems within linear systems by explicitly deriving the connection between the Koopman evolution operator, the Perron–Frobenius evolution operator, and the Koopman–von Neumann evolution (KvN) operator. We also explicitly derive the connection between the Koopman and Carleman approaches to embedding. Extension of the KvN framework to the complex-analytic setting relevant to Carleman embedding, and the proof that different choices of complex analytic reproducing kernel Hilbert spaces depend on the choice of Hilbert space metric are covered in the appendixes. Finally, we conclude with a review of recent quantum hardware implementations of algorithms on present-day quantum hardware platforms that may one day be accelerated through Hamiltonian simulation. We discuss the simulation of toy models of wave–particle interactions through the simulation of quantum maps and of wave–wave interactions important in nonlinear plasma dynamics. [ABSTRACT FROM AUTHOR]

Quantum Natural Language Processing (QNLP) deals with the design and implementation of NLP models intended to be run on quantum hardware. In this paper, we present results on the first NLP experiments conducted on Noisy Intermediate-Scale Quantum (NISQ) computers for datasets of size greater than 100 sentences. Exploiting the formal similarity of the compositional model of meaning by Coecke, Sadrzadeh, and Clark (2010) with quantum theory, we create representations for sentences that have a natural mapping to quantum circuits. We use these representations to implement and successfully train NLP models that solve simple sentence classification tasks on quantum hardware. We conduct quantum simulations that compare the syntax-sensitive model of Coecke et al. with two baselines that use less or no syntax; specifically, we implement the quantum analogues of a "bag-of-words" model, where syntax is not taken into account at all, and of a word-sequence model, where only word order is respected. We demonstrate that all models converge smoothly both in simulations and when run on quantum hardware, and that the results are the expected ones based on the nature of the tasks and the datasets used. Another important goal of this paper is to describe in a way accessible to AI and NLP researchers the main principles, process and challenges of experiments on quantum hardware. Our aim in doing this is to take the first small steps in this unexplored research territory and pave the way for practical Quantum Natural Language Processing. [ABSTRACT FROM AUTHOR]