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We propose introducing an extended Hubbard Hamiltonian derived via the ab initio downfolding method, which was originally formulated for periodic materials, toward efficient quantum computing of molecular electronic structure calculations. By utilizing this method, the first-principles Hamiltonian of chemical systems can be coarse-grained by eliminating the electronic degrees of freedom in higher energy space and reducing the number of terms of electron repulsion integral from O ( N 4 ) to O ( N 2 ). Our approach is validated numerically on the vertical excitation energies and excitation characters of ethylene, butadiene, and hexatriene. The dynamical electron correlation is incorporated within the framework of the constrained random phase approximation in advance of quantum computations, and the constructed models capture the trend of experimental and high-level quantum chemical calculation results. As expected, the L1-norm of the fermion-to-qubit mapped model Hamiltonians is significantly lower than that of conventional ab initio Hamiltonians, suggesting improved scalability of quantum computing. Those numerical outcomes and the results of the simulation of excited-state sampling demonstrate that the ab initio extended Hubbard Hamiltonian may hold significant potential for quantum chemical calculations using quantum computers. [ABSTRACT FROM AUTHOR]

We propose a scheme for achieving basic quantum gates using ultracold polar molecules in pendular states. The qubits are encoded in the YbF molecules trapped in an electric field with a certain gradient and coupled by the dipole–dipole interaction. The time-dependent control sequences consisting of multiple pulses are considered to interact with the pendular qubits. To achieve high-fidelity quantum gates, we map the control problem for the coupled molecular system into a Markov decision process and deal with it using the techniques of deep reinforcement learning (DRL). By training the agents over multiple episodes, the optimal control pulse sequences for the two-qubit gates of NOT, controlled NOT, and Hadamard are discovered with high fidelities. Moreover, the population dynamics of YbF molecules driven by the discovered gate sequences are analyzed in detail. Furthermore, by combining the optimal gate sequences, we successfully simulate the quantum circuit for entanglement. Our findings could offer new insights into efficiently controlling molecular systems for practical molecule-based quantum computing using DRL. [ABSTRACT FROM AUTHOR]

Quantum computers hold immense potential in the field of chemistry, ushering new frontiers to solve complex many-body problems that are beyond the reach of classical computers. However, noise in the current quantum hardware limits their applicability to large chemical systems. This work encompasses the development of a projective formalism that aims to compute ground-state energies of molecular systems accurately using noisy intermediate scale quantum (NISQ) hardware in a resource-efficient manner. Our approach is reliant upon the formulation of a bipartitely decoupled parameterized ansatz within the disentangled unitary coupled cluster framework based on the principles of nonlinear dynamics and synergetics. Such decoupling emulates total parameter optimization in a lower dimensional manifold, while a mutual synergistic relationship among the parameters is exploited to ensure characteristic accuracy via a non-iterative energy correction. Without any pre-circuit measurements, our method leads to a highly compact fixed-depth ansatz with shallower circuits and fewer expectation value evaluations. Through analytical and numerical demonstrations, we establish the method's superior performance under noise while concurrently ensuring requisite accuracy in future fault-tolerant systems. This approach enables rapid exploration of emerging chemical spaces by the efficient utilization of near-term quantum hardware resources. [ABSTRACT FROM AUTHOR]

With the development of quantum computers, traditional communication security based on classical computers can no longer guarantee unconditional security. At the same time, a series of encrypted communication solutions that rely on quantum mechanical properties have been spawned. This article focuses on the field of quantum signatures, based on the entangled Greenberger–Horne–Zeilinger state, combining group signatures (any member of the group can sign on behalf of the group) and blind signatures (the signer cannot know the accuracy of the signature content) proposed a new quantum group blind signature scheme that utilizes quantum key distribution to achieve unconditional security. By splitting the original message, the scheme strengthens the relevance of the signature participants and makes the signature to have stronger binding. Then, the security of the scheme against internal and external attacks is analyzed. In this scheme, a pleasing efficiency has been achieved, and the non-repudiation of signatures has been enhanced. At the same time, disputed signatures can be traced back to the signer. [ABSTRACT FROM AUTHOR]

Exactly solvable Hamiltonians are useful in the study of quantum many-body systems using quantum computers. In the variational quantum eigensolver, a decomposition of the target Hamiltonian into exactly solvable fragments can be used for the evaluation of the energies via repeated quantum measurements. In this work, we apply more general classes of exactly solvable qubit Hamiltonians than previously considered to address the Hamiltonian measurement problem. The most general exactly solvable Hamiltonians we use are defined by the condition that within each simultaneous eigenspace of a set of Pauli symmetries, the Hamiltonian acts effectively as an element of a direct sum of so(N) Lie algebras and can, therefore, be measured using a combination of unitaries in the associated Lie group, Clifford unitaries, and mid-circuit measurements. The application of such Hamiltonians to decomposing molecular electronic Hamiltonians via graph partitioning techniques shows a reduction in the total number of measurements required to estimate the expectation value compared to previously used exactly solvable qubit Hamiltonians. [ABSTRACT FROM AUTHOR]

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]

Quantum chemistry is one of the most promising applications for which quantum computing is expected to have a significant impact. Despite considerable research in the field of electronic structure, calculating the vibrational properties of molecules on quantum computers remains a relatively unexplored field. In this work, we develop a vibrational Adaptive Derivative-Assembled Pseudo-Trotter Variational Quantum Eigensolver (vADAPT-VQE) formalism based on an infinite product representation (IPR) of anti-Hermitian excitation operators of the Full Vibrational Configuration Interaction (FVCI) wavefunction, which allows for preparing eigenstates of vibrational Hamiltonians on quantum computers. In order to establish the vADAPT-VQE algorithm using the IPR, we study the exactness of disentangled Unitary Vibrational Coupled Cluster (dUVCC) theory and show that dUVCC can formally represent the FVCI wavefunction in an infinite expansion. To investigate the performance of the vADAPT-VQE algorithm, we numerically study whether the vADAPT-VQE algorithm generates a sequence of operators that may represent the FVCI wavefunction. Our numerical results indicate frequent appearance of critical points in the wavefunction preparation using vADAPT-VQE. These results imply that one may encounter diminishing usefulness when preparing vibrational wavefunctions on quantum computers using vADAPT-VQE and that additional studies are required to find methods that can circumvent this behavior. [ABSTRACT FROM AUTHOR]

Trapped ions are among the leading candidates for quantum computing technologies. Interfacing ion qubits in separate traps and interfacing ion qubits with superconducting qubits are two of the many challenges to scale up quantum computers. One approach to overcome both problems is to use a conducting wire to mediate the Coulomb interaction between ions in different traps or between ions and superconducting qubits. To this end, a trapped charged particle inducing charge on a conductor has long been modeled as a system of equivalent lumped element electronic components. Our careful consideration reveals two assumptions in the derivation of this model, which are generally unjustified. We explain how these assumptions undermine the model's validity, and then introduce an improved way to use linear relationships to describe the interaction of trapped ions with nearby conductors. The new method reproduces results equivalent to those of other works that are not based on the circuit element model. This method is targeted for trouble-shooting experimental designs and allows experiments to test and compare the accuracy of different theoretical models. [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]

The operations of current quantum computers are still significantly affected by decoherence caused by interaction with the environment. In this work, we employ the non-perturbative hierarchical equations of motion (HEOM) method to simulate the operation of model quantum computers and reveal the effects of dissipation on the entangled quantum states and on the performance of well-known quantum algorithms. Multi-qubit entangled states in Shor's factorizing algorithm are first generated and propagated using the HEOM. It is found that the failure of factorization is accompanied by a loss of fidelity and mutual information. An important challenge in using the HEOM to simulate quantum computers in a dissipative environment is how to efficiently treat systems with many qubits. We propose a two-dimensional tensor network scheme for this problem and demonstrate its capability by simulating a one-dimensional random circuit model with 21 qubits. [ABSTRACT FROM AUTHOR]

First-order derivatives of energies with respect to atomic coordinates are widely computed and used in quantum chemistry simulations. The rapidly emerging technology of quantum computing offers a new paradigm for solving relevant quantum chemistry equations. In this work, we have achieved analytical calculations of atomic forces based on the Hellmann–Feynman theorem within the framework of the variational quantum eigensolver. The accuracy of the approach is demonstrated by calculating the atomic forces of H2, LiH, H2O, and NH3 molecules, which are in excellent agreement with values obtained from full configuration interaction calculations. In particular, for systems with degenerate molecular orbitals, the analytical approach has a significant accuracy advantage over finite-difference-based methods and will not involve additional computational effort on a quantum computer. The calculated forces are further used to optimize the geometries of NH3 and CH4 molecules and to perform ab initio molecular dynamics simulations for the umbrella inversion of NH3, demonstrating the feasibility of the approach in practical quantum chemistry simulations. [ABSTRACT FROM AUTHOR]

The recently developed Projective Quantum Eigensolver (PQE) offers an elegant procedure to evaluate the ground state energies of molecular systems in quantum computers. However, the noise in available quantum hardware can result in significant errors in computed outcomes, limiting the realization of quantum advantage. Although PQE comes equipped with some degree of inherent noise resilience, any practical implementation with apposite accuracy would require additional routines to eliminate or mitigate the errors further. In this work, we propose a way to enhance the efficiency of PQE by developing an optimal framework for introducing Zero Noise Extrapolation (ZNE) in the nonlinear iterative procedure that outlines the PQE, leading to the formulation of ZNE-PQE. Moreover, we perform a detailed analysis of how various components involved in it affect the accuracy and efficiency of the reciprocated energy convergence trajectory. Additionally, we investigate the underlying mechanism that leads to the improvements observed in ZNE-PQE over conventional PQE by performing a comparative analysis of their residue norm landscape. This approach is expected to facilitate practical applications of quantum computing in fields related to molecular sciences, where it is essential to determine molecular energies accurately. [ABSTRACT FROM AUTHOR]

In this work, we test a recently developed method to enhance classical auxiliary-field quantum Monte Carlo (AFQMC) calculations with quantum computers against examples from chemistry and material science, representative of classes of industry-relevant systems. As molecular test cases, we calculate the energy curve of H4 and the relative energies of ozone and singlet molecular oxygen with respect to triplet molecular oxygen, which is industrially relevant in organic oxidation reactions. We find that trial wave functions beyond single Slater determinants improve the performance of AFQMC and allow it to generate energies close to chemical accuracy compared to full configuration interaction or experimental results. In the field of material science, we study the electronic structure properties of cuprates through the quasi-1D Fermi–Hubbard model derived from CuBr2, where we find that trial wave functions with both significantly larger fidelities and lower energies over a mean-field solution do not necessarily lead to AFQMC results closer to the exact ground state energy. [ABSTRACT FROM AUTHOR]

A major roadblock to scalable quantum computing is phase decoherence and energy relaxation caused by qubits interacting with defect-related two-level systems (TLSs). Native oxides present on the surfaces of superconducting metals used in quantum devices are acknowledged to be a source of TLS that decrease qubit coherence times. Reducing microwave loss by "surface engineering" (i.e., replacing the uncontrolled native oxide of superconducting metals with a thin, stable surface with predictable characteristics) can be a key enabler for pushing performance forward with devices of higher intrinsic quality factor. In this work, we present a novel approach to replace the native oxide of niobium (typically formed in an uncontrolled fashion when its pristine surface is exposed to air) with an engineered oxide, using a room-temperature process that leverages accelerated neutral atom beam (ANAB) technology at 300 mm wafer scale. This ANAB is composed of a mixture of argon and oxygen, with tunable energy per atom, which is rastered across the wafer surface. The ANAB-engineered Nb-oxide thickness was found to vary from 2 to 6 nm depending on ANAB process parameters. The modeling of variable-energy x-ray photoelectron spectroscopy data confirms the thickness and compositional control of Nb surface oxide by the ANAB process. These results correlate well with those from transmission electron microscopy and x-ray reflectometry. Since ANAB is broadly applicable to material surfaces, the present study indicates its promise for modification of the surfaces of superconducting quantum circuits to achieve longer coherence times. [ABSTRACT FROM AUTHOR]

Extensive research is currently underway to determine the security of existing ciphers in light of the advancements in quantum computing. Against symmetric key cryptography, Grover's search algorithm is a prominent attack, capable of reducing search costs to the square root. For using Grover's algorithm, it is imperative to embed the target cipher into a quantum circuit. Even so, this area of research is relatively new; it has garnered significant attention from the research community. In this study, we provide the first estimation of the cost of Grover's key search attack against the AES-based AEAD schemes Rocca-S, AEGIS-128, and Tiaoxin-346. Our analysis considers circuit depth restrictions specified in NIST's PQC standardization process. Considering NIST's maximum depth constraints, We present the overall cost of these attacks using gate count and depth-times-width metrics. We observed that for MAXDEPTH = 2 40 , Rocca-S, AEGIS-128, and Tiaoxin-346 can be retrieved using Grover's search algorithm with gate count of 1.09 × 2253, 1.14 × 2124, and 1.22 × 2124 respectively. Concerning the current updated values by NIST, these ciphers are secure in terms of the cost of implementing Grover's attack for key recovery. The quantum circuits of these ciphers are implemented using QISKIT, an open-source software development kit (SDK) designed for working with quantum computers running on the IBM Quantum Experience platform. [ABSTRACT FROM AUTHOR]

The limited capabilities of current quantum hardware significantly constrain the scale of experimental demonstrations of most quantum algorithmic primitives. This makes it challenging to perform benchmarking of the current hardware using useful quantum algorithms, i.e., application-oriented benchmarking. In particular, the Harrow-Hassidim-Lloyd (HHL) algorithm is a critical quantum linear algebra primitive, but the majority of the components of HHL are far out of the reach of noisy intermediate-scale quantum devices, which has led to the proposal of hybrid classical-quantum variants. The goal of this work is to further bridge the gap between proposed near-term friendly implementations of HHL and the kinds of quantum circuits that can be executed on noisy hardware. Our proposal adds to the existing literature of hybrid quantum algorithms for linear algebra that are more compatible with the current scale of quantum devices. Specifically, we propose two modifications to the Hybrid HHL algorithm proposed by Lee et al., leading to our algorithm Hybrid HHL + + : (1) propose a novel algorithm for determining a scaling factor for the linear system matrix that maximizes the utility of the amount of ancillary qubits allocated to the phase estimation component of HHL, and (2) introduce a heuristic for compressing the HHL circuit. We demonstrate the efficacy of our work by running our modified Hybrid HHL on Quantinuum System Model H-series trapped-ion quantum computers to solve different problem instances of small-scale portfolio optimization problems, leading to the largest experimental demonstrations of HHL for an application to date. [ABSTRACT FROM AUTHOR]

Quantum information technology offers the potential to realize unprecedented computational resources via secure channels distributing entanglement between quantum computers. Diamond, as a host to optically-accessible spin qubits, is a leading platform to realize quantum memory nodes needed to extend such quantum links. Photonic crystal (PhC) cavities enhance light-matter interaction and are essential for an efficient interface between spins and photons that are used to store and communicate quantum information respectively. Here, we demonstrate one- and two-dimensional PhC cavities fabricated in thin-film diamonds, featuring quality factors (Q) of 1.8 × 105 and 1.6 × 105, respectively, the highest Qs for visible PhC cavities realized in any material. Importantly, our fabrication process is simple and high-yield, based on conventional planar fabrication techniques, in contrast to the previous with complex undercut processes. We also demonstrate fiber-coupled 1D PhC cavities with high photon extraction efficiency, and optical coupling between a single SiV center and such a cavity at 4 K achieving a Purcell factor of 18. The demonstrated photonic platform may fundamentally improve the performance and scalability of quantum nodes and expedite the development of related technologies. Improving the performance and scalability of quantum nodes is of paramount importance to expedite the development of quantum technologies. Here the authors demonstrate fiber-coupled 1D PhC cavities with high photon extraction efficiency, and optical coupling between a single SiV center and such a cavity. [ABSTRACT FROM AUTHOR]

Quantum computers are expected to outperform classical computers for specific problems in quantum chemistry. Such calculations remain expensive, but costs can be lowered through the partition of the molecular system. In the present study, partition was achieved with range‐separated density functional theory (RS‐DFT). The use of RS‐DFT reduces both the basis set size and the active space size dependence of the ground state energy in comparison with the use of wave function theory (WFT) alone. The utilization of pair natural orbitals (PNOs) in place of canonical molecular orbitals (MOs) results in more compact qubit Hamiltonians. To test this strategy, a basis‐set independent framework, known as multiresolution analysis (MRA), was employed to generate PNOs. Tests were conducted with the variational quantum eigensolver for a number of molecules. The results show that the proposed approach reduces the number of qubits needed to reach a target energy accuracy. [ABSTRACT FROM AUTHOR]

Variational quantum algorithms represent a powerful approach for solving optimization problems on noisy quantum computers, with a broad spectrum of potential applications ranging from chemistry to machine learning. However, their performances in practical implementations crucially depend on the effectiveness of quantum circuit training, which can be severely limited by phenomena such as barren plateaus. While, in general, dissipation is detrimental for quantum algorithms, and noise itself can actually induce barren plateaus, here we describe how the inclusion of properly engineered Markovian losses after each unitary quantum circuit layer allows for the trainability of quantum models. We identify the required form of the dissipation processes and establish that their optimization is efficient. We benchmark the generality of our proposal in both a synthetic and a practical quantum chemistry example, demonstrating its effectiveness and potential impact across different domains. [ABSTRACT FROM AUTHOR]

Semiconductor spin qubits represent a promising platform for future large-scale quantum computers owing to their excellent qubit performance, as well as the ability to leverage the mature semiconductor manufacturing industry for scaling up. Individual qubit control, however, commonly relies on spectral selectivity, where individual microwave signals of distinct frequencies are used to address each qubit. As quantum processors scale up, this approach will suffer from frequency crowding, control signal interference and unfeasible bandwidth requirements. Here, we propose a strategy based on arrays of degenerate spins coherently dressed by a global control field and individually addressed by local electrodes. We demonstrate simultaneous on-resonance driving of two degenerate qubits using a global field while retaining addressability for qubits with equal Larmor frequencies. Furthermore, we implement SWAP oscillations during on-resonance driving, constituting the demonstration of driven two-qubit gates. Significantly, our findings highlight how dressing can overcome the fragility of entangling gates between superposition states and increase their noise robustness. These results constitute a paradigm shift in qubit control in order to overcome frequency crowding in large-scale quantum computing. Global control of a qubits using a single microwave field is a promising strategy for scalable quantum computing. Here the authors demonstrate individual addressability vial local electrodes and two-qubit gates in an array of Si quantum dot spin qubits dressed by a global microwave field and driven on-resonance. [ABSTRACT FROM AUTHOR]

Advancements in the implementation of quantum hardware have enabled the acquisition of data that are intractable for emulation with classical computers. The integration of classical machine learning (ML) algorithms with these data holds potential for unveiling obscure patterns. Although this hybrid approach extends the class of efficiently solvable problems compared to using only classical computers, this approach has been only realized for solving restricted problems because of the prevalence of noise in current quantum computers. Here, we extend the applicability of the hybrid approach to problems of interest in many-body physics, such as predicting the properties of the ground state of a given Hamiltonian and classifying quantum phases. By performing experiments with various error-reducing procedures on superconducting quantum hardware with 127 qubits, we managed to acquire refined data from the quantum computer. This enabled us to demonstrate the successful implementation of theoretically suggested classical ML algorithms for systems with up to 44 qubits. Our results verify the scalability and effectiveness of the classical ML algorithms for processing quantum experimental data. Classical machine learning methods trained on quantum simulation data can efficiently solve quantum many-body problems, but this has been mostly shown for numerically generated data. Here the authors successfully apply such methods to data acquired on a superconducting quantum processor with error mitigation. [ABSTRACT FROM AUTHOR]

The practical implementation of many quantum algorithms known today is limited by the coherence time of the executing quantum hardware and quantum sampling noise. Here we present a machine learning algorithm, NISQRC, for qubit-based quantum systems that enables inference on temporal data over durations unconstrained by decoherence. NISQRC leverages mid-circuit measurements and deterministic reset operations to reduce circuit executions, while still maintaining an appropriate length persistent temporal memory in the quantum system, confirmed through the proposed Volterra Series analysis. This enables NISQRC to overcome not only limitations imposed by finite coherence, but also information scrambling in monitored circuits and sampling noise, problems that persist even in hypothetical fault-tolerant quantum computers that have yet to be realized. To validate our approach, we consider the channel equalization task to recover test signal symbols that are subject to a distorting channel. Through simulations and experiments on a 7-qubit quantum processor we demonstrate that NISQRC can recover arbitrarily long test signals, not limited by coherence time. Inherent limitations on continuously measured quantum systems calls into question whether they could even in principle be used for online learning. Here, the authors experimentally demonstrate a quantum machine learning framework for inference on streaming data of arbitrary length, and provide a theory with criteria for the utility of their algorithm for inference on streaming data. [ABSTRACT FROM AUTHOR]

In order to solve the security of electronic transactions on limited goods, some quantum blind double signature (QBDS) protocols were proposed. In existing QBDS protocols, all participants must have specific quantum computing capabilities. Realistically, high cost of quantum devices may hinder people from using the QBDS protocol. Therefore, we propose a semi-quantum arbitrator blind double signature (SQABDS) scheme. In this scheme, the sender (signer) and the receiver both are classical participants, which can relatively reduce the dependence on quantum hardware. The introduction of blind signers can protect the privacy of electronic transactions, the introduction of semi-trusted arbitrator can relax the strong assumption about the trustworthiness of the arbitrator, for the arbitrator cannot forge the signature. In addition, the SQABDS scheme can be used to sign classical messages directly without performing any quantum swapping tests or quantum gate operations. Finally, the analysis shows that our scheme is securer and its quantum cost is relatively lower. [ABSTRACT FROM AUTHOR]

An essential problem in quantum machine learning is to find quantum-classical separations between learning models. However, rigorous and unconditional separations are lacking for supervised learning. Here we construct a classification problem defined by a noiseless constant depth (i.e., shallow) quantum circuit and rigorously prove that any classical neural network with bounded connectivity requires logarithmic depth to output correctly with a larger-than-exponentially-small probability. This unconditional near-optimal quantum-classical representation power separation originates from the quantum nonlocality property that distinguishes quantum circuits from their classical counterparts. We further characterize the noise regimes for demonstrating such a separation on near-term quantum devices under the depolarization noise model. In addition, for quantum devices with constant noise strength, we prove that no super-polynomial classical-quantum separation exists for any classification task defined by Clifford circuits, independent of the structures of the circuits that specify the learning models. An essential problem in quantum machine learning is to find quantum-classical separations between learning models. The authors construct a classification problem based on constant depth quantum circuit to rigorously prove that such a separation exists in terms of representation power, and further characterize the noise regimes for the separation to exist. [ABSTRACT FROM AUTHOR]

Quantum thermodynamics aims to extend standard thermodynamics and nonequilibrium statistical physics to systems with sizes well below the thermodynamic limit. It is a rapidly evolving research field that promises to change our understanding of the foundations of physics, while enabling the discovery of novel thermodynamic techniques and applications at the nanoscale. Thermal management has turned into a major obstacle in pushing the limits of conventional digital computers and could also represent a crucial issue for quantum computers. The practical realization of quantum computers with superconducting loops requires working at cryogenic temperatures to eliminate thermal noise, and ion-trap qubits also need low temperatures to minimize collisional noise. In both cases, the sub-nanometric sizes also bring about the thermal broadening of the quantum states; and even roomtemperature photonic computers eventually require cryogenic detectors. A number of thermal and thermodynamic questions, therefore, take center stage, such as quantum re-definitions of work and heat, thermalization and randomization of quantum states, the overlap of quantum and thermal fluctuations, and many others, even including a proper definition of temperature for the small open systems constantly out of equilibrium that are the qubits. This overview provides an introductory perspective on a selection of current trends in quantum thermodynamics and their impact on quantum computers and quantum computing, with language that is accessible to postgraduate students and researchers from different fields. [ABSTRACT FROM AUTHOR]

Quantum computing provides a revolution in computational competences, leveraging the principles of quantum mechanics to process data in fundamentally novel ways. This paper explores the profound implications of quantum computing on cryptography, focusing on the vulnerabilities it introduces to classical encryption methods such as RSA and ECC, and the emergence of quantum-resistant algorithms. We review the core principles of quantum mechanics, including superposition and entanglement, which underpin quantum computing and cryptography. Additionally, we examine quantum encryption algorithms, particularly Quantum Key Distribution (QKD) protocols and post-quantum cryptographic methods, highlighting their potential to secure communications in the quantum era. This analysis emphasizes the urgent need for developing robust quantum-resistant cryptographic solutions to safeguard sensitive information against the imminent threats posed by advancing quantum technologies. [ABSTRACT FROM AUTHOR]

The information security plays a significant role in both our daily life and national security. As the traditional algorithm-based secure key distribution (SKD) is challenged by the quantum computers, the optical physical-layer SKD has attracted great attentions such as quantum SKD, chaos SKD, and reciprocity-based SKD. However, the cost of quantum SKD is still unaffordable and the latter two classical SKDs are only reliable with some preshared information or under simple eavesdrop. So far, there still lacks a high-security and low-cost optical SKD scheme. In this paper, we propose and demonstrate a high-security chip-encoded classical optical SKD paradigm based on the reciprocity of incoherent matrix. The security of SKD is facilitated by the incoherence of input light, and it is the first time that the classical optical SKD is achieved with silicon photonic chips and commercial optical fiber link. Experimentally, we set up a chip-to-chip communication link and achieve key generation rate of 100 bit/s over a 40 km single mode fiber, with key error rate of only 1.89 %. Moreover, we demonstrate the key capacity expansion of the proposed scheme with four-channel wavelength division multiplexing. Our proposal paves the way for the low-cost, high-security, and miniaturized optical SKD. [ABSTRACT FROM AUTHOR]

Quantum Boltzmann machines (QBMs) are machine-learning models for both classical and quantum data. We give an operational definition of QBM learning in terms of the difference in expectation values between the model and target, taking into account the polynomial size of the data set. By using the relative entropy as a loss function, this problem can be solved without encountering barren plateaus. We prove that a solution can be obtained with stochastic gradient descent using at most a polynomial number of Gibbs states. We also prove that pre-training on a subset of the QBM parameters can only lower the sample complexity bounds. In particular, we give pre-training strategies based on mean-field, Gaussian Fermionic, and geometrically local Hamiltonians. We verify these models and our theoretical findings numerically on a quantum and a classical data set. Our results establish that QBMs are promising machine learning models. The quantum Boltzmann machine (QBM) is a machine learning model with applications ranging from generative modeling to the initialization of neural networks and physics models of experimental data. Here the authors show that QBMs can be trained sample efficiently and that the sample complexity can be further reduced with pre-training strategies. [ABSTRACT FROM AUTHOR]

The electron pair approximation offers an efficient variational quantum eigensolver (VQE) approach for chemistry simulations on quantum computers. With the number of entangling gates scaling quadratically with system size and a constant measurement overhead, the orbital optimized unitary pair coupled cluster double (oo-upCCD) ansatz strikes a balance between accuracy and efficiency. However, the electron pair approximation prevents the method from achieving quantitative accuracy. To improve it, we explore the theory of second order perturbation (PT2) correction to oo-upCCD. PT2 accounts for the missing broken-pair contributions in oo-upCCD, while retaining its efficiencies. For molecular bond stretching and chemical reactions, the method significantly improves the predicted energy accuracy, reducing oo-upCCD's error by up to 90%. On IonQ's quantum computers, we find that the PT2 energy correction is highly noise-resilient. The predicted VQE-PT2 reaction energies are in excellent agreement with noise-free simulators after applying simple error mitigations solely on the VQE energies. [ABSTRACT FROM AUTHOR]

We design a quantum method for classical information compression that exploits the hidden subgroup quantum algorithm. We consider sequence data in a database with a priori unknown symmetries of the hidden subgroup type. We prove that data with a given group structure can be compressed with the same query complexity as the hidden subgroup problem, which is exponentially faster than the best-known classical algorithms. We moreover design a quantum algorithm that variationally finds the group structure and uses it to compress the data. There is an encoder and a decoder, along the paradigm of quantum autoencoders. After the training, the encoder outputs a compressed data string and a description of the hidden subgroup symmetry, from which the input data can be recovered by the decoder. In illustrative examples, our algorithm outperforms the classical autoencoder on the mean squared value of test data. This classical-quantum separation in information compression capability has thermodynamical significance: the free energy assigned by a quantum agent to a system can be much higher than that of a classical agent. Taken together, our results show that a possible application of quantum computers is to efficiently compress certain types of data that cannot be efficiently compressed by current methods using classical computers. [ABSTRACT FROM AUTHOR]

With the rapid development of quantum computing technology, the traditional cryptosystem will face a significant threat. It is an urgent security issue to study the security impact of quantum computing on classical cryptosystems and provide reliable cryptographic primitives for the post-quantum era. A powerful way to solve this problem is to quantize the classical cryptanalysis tools and use the improved versions for cryptanalysis. In this paper, we propose a quantum Zero-correlation analysis algorithm based on the Bernstein–Vazirani and Grover algorithms. It can find zero-correlation linear hulls for Feistel and SPN structures. We prove the correctness of the algorithm and analyze its complexity. Compared with the classical algorithms, the proposed quantum algorithm has significant advantages when the number of encryption rounds of block ciphers is large. Moreover, compared with the existing quantum Zero-correlation linear analysis, the proposed algorithm is more efficient and does not depend on the algebraic characteristics of the target cipher, which makes the algorithm has more flexible application scenarios. With the development of quantum computers, we discuss the threat of quantum cryptanalysis algorithms to classical security. [ABSTRACT FROM AUTHOR]

Context: Quantum computing is an exciting area, which has grown at an astonishing rate in the last decade. It is especially promising for the computational and theoretical chemistry area. One algorithm has received a lot of attention lately, the variational quantum eigensolver (VQE). It is used to solve electronic structure problems and it is suitable to the noisy intermediate-scale quantum (NISQ) hardware. VQE calculations require ansatze and one of the most known is the unitary coupled cluster (UCC). It uses the chosen basis set to generate a quantum computing circuit which will be iteratively minimized. The present work investigates the circuit depth and the number of gates as a function of basis sets and molecular size. It has been shown that for the current quantum devices, only the smallest molecules and basis sets are tractable. The H 2 molecule with the cc-pVTZ and aug-cc-pVTZ basis sets have circuit depths in the order of 10 6 to 10 7 gates and the C 2 H 6 molecule with 3–21G basis set has a circuit depth of 2.2 × 10 8 gates. At the same time the analysis demonstrates that the H 2 molecule with STO-3G basis set, requires at least 500 shots to reduce the error and that, although error mitigation schemes can diminish the error, they were not able to completely negate it. Methods: The quantum computing and electronic structure calculations were performed using the Qiskit package from IBM and the PySCF package, respectively. The ansatze were generated using the UCCSD method as implemented in Qiskit, using the basis sets STO-3G, 3–21G, 6–311G(d,p), def2-TZVP, cc-pVDZ, aug-cc-pVDZ, cc-pVTZ, and aug-cc-pVTZ. The operators and the Hamiltonian were mapped using the Jordan-Wigner scheme. The classical optimizer chosen was the simultaneous perturbation stochastic approximation (SPSA). The quantum computers used were the Nairobi and Osaka, with 7 and 127 qubits respectively. [ABSTRACT FROM AUTHOR]

In the quantum era, the advent of quantum computers poses significant threats to the security of current cryptosystems. Therefore, designing quantum-resistant cryptoschemes becomes important to guarantee information security. This work concentrates on the development of the postquantum public key encryption (PKE) scheme. Non-commutative cryptography (NCC) has entered the field of post-quantum cryptography. We utilize the TSPEM problem with asymmetric structures (which serve as a potential candiate for resisting quantum attacks) to construct two PKE schemes which are demonstrated to be CPA security under the DTSPEM assumption. By representing the plaintext as a matrix, these schemes can effectively encrypt a significant amount of information in a single operation. Assuming an equal amount of messages for encryption, the proposed schemes acheive superior efficiency compared to existing PKE schemes. Structurally, our systems exhibit a level of synchronization and coexistence due to the distinct public keys (P) and ciphertexts (C1). The efficiency analysis is conducted by comparing known schemes from the aspect of specific cryptographic indicators. Generally, the proposed ones offer several advantages including provable security, high efficiency, potential quantum-resistant, and relative ease of implementation; along with synchronization and coexistence. Our investigation has established the feasibility of constructing PKE schemes based on the TSPEM problem, specifically for asymmetric communication scenarios. The preliminary results pave the way for further exploration of the TSPEM problem's potential in developing other cryptosystems suitable for quantum computing environments. [ABSTRACT FROM AUTHOR]

This paper presents a quantum algorithm for solving the one-dimensional heat equation with Dirichlet boundary conditions. The algorithm utilizes discretization techniques and employs quantum gates to emulate the heat propagation operator. Central to the algorithm is the Trotter–Suzuki decomposition, enabling the simulation of the time evolution of the temperature distribution. The initial temperature distribution is encoded into quantum states, and the evolution of these states is driven by quantum gates tailored to mimic the heat propagation process. As per the literature, quantum algorithms exhibit an exponential computational speedup with increasing qubit counts, albeit facing challenges such as exponential growth in relative error and cost functions. This study addresses these challenges by assessing the potential impact of quantum simulations on heat conduction modeling. Simulation outcomes across various quantum devices, including simulators and real quantum computers, demonstrate a decrease in the relative error with an increasing number of qubits. Notably, simulators like the simulator_statevector exhibit lower relative errors compared to the ibmq_qasm_simulator and ibm_osaka. The proposed approach underscores the broader applicability of quantum computing in physical systems modeling, particularly in advancing heat conductivity analysis methods. Through its innovative approach, this study contributes to enhancing modeling accuracy and efficiency in heat conduction simulations across diverse domains. [ABSTRACT FROM AUTHOR]

Quantum computing has emerged as a transformative paradigm, with revolutionary potential in numerous fields, including quantum image processing and compression. Applications that depend on large scale image data could benefit greatly from parallelism and quantum entanglement, which would allow images to be encoded and decoded with unprecedented efficiency and data reduction capability. This paper provides a comprehensive overview of the rapidly evolving field of quantum image compression, including its foundational principles, methods, challenges, and potential uses. The paper will also feature a thorough exploration of the fundamental concepts of quantum qubits as image pixels, quantum gates as image transformation tools, quantum image representation, as well as basic quantum compression operations. Our survey shows that work is still sparse on the practical implementation of quantum image compression algorithms on physical quantum computers. Thus, further research is needed in order to attain the full advantage and potential of quantum image compression algorithms on large-scale fault-tolerant quantum computers. [ABSTRACT FROM AUTHOR]

Early advances in quantum computing have provided new opportunities to tackle intricate problems in diverse areas such as cryptography, optimization, and simulation. However, current methodologies employed in quantum computing often require, among other things, a broad understanding of quantum hardware and low‐level programming languages, posing challenges to software developers in effectively creating and implementing quantum services. This study advocates the adoption of software engineering principles in quantum computing, thereby establishing a higher level of hardware abstraction that allows developers to focus on application development. With this proposal, developers can design and deploy quantum services with less effort, which is similar to the facilitation provided by service‐oriented computing for the development of conventional software services. This study introduces a continuous deployment strategy adapted to the development of quantum services that covers the creation and deployment of such services. For this purpose, an extension of the OpenAPI specification is proposed, which allows the generation of services that implement quantum algorithms. The proposal was validated through the creation of an application programming interface with diverse quantum algorithm implementations and evaluated through a survey of various developers and students who were introduced to the tool with positive results. [ABSTRACT FROM AUTHOR]

To address the potential threat to the power grid industry posed by quantum computers and ensure the security of bidirectional communication in smart grids, it is imperative to develop quantum-safe authentication protocols. This paper proposes a semi-quantum bidirectional authentication protocol between a control center (CC) and a neighboring gateway (NG). This method uses single photons to facilitate communication between the CC and the NG. Security analysis demonstrates that the protocol can effectively resist common attack methods, including double CNOT attacks, impersonation attacks, interception-measurement-retransmission attacks, and entanglement-measurement attacks. Comparisons with other protocols reveal that this protocol has significant advantages, making it more appealing and practical for real-world applications. Finally, by simulating the protocol on the IBM quantum simulator, this protocol not only validates the theoretical framework but also confirms the practical feasibility of the protocol. [ABSTRACT FROM AUTHOR]

Quantum computers have the potential to break the public-key cryptosystems widely used in key exchange and digital signature applications. To address this issue, quantum key distribution (QKD) offers a robust countermeasure against quantum computer attacks. Among various QKD schemes, BB84 is the most widely used and studied. However, BB84 implementations are inherently imperfect, resulting in quantum bit error rates (QBERs) even in the absence of eavesdroppers. Distinguishing between QBERs caused by eavesdropping and QBERs due to channel imperfections is fundamentally infeasible. In this context, this paper proposes and examines a practical method for detecting eavesdropping via partial intercept-and-resend attacks in the BB84 protocol. A key feature of the proposed method is its consideration of quantum system noise. The efficacy of this method is assessed by employing the Quantum Solver library in conjunction with backend simulators inspired by real quantum machines that model quantum system noise. The simulation outcomes demonstrate the method's capacity to accurately estimate the eavesdropper's interception density in the presence of system noise. Moreover, the results indicate that the estimation accuracy of the eavesdropper's interception density in the presence of system noise is dependent on both the actual interception density value and the key length. [ABSTRACT FROM AUTHOR]

This article introduces an enhancement to the Grover search algorithm to speed up computing the probability of finding good states. It suggests incorporating a rotation phase angle determined mathematically from the derivative of the model during the initial iteration. At each iteration, a new phase angle is computed and used in a rotation gate around y + z axis in the diffusion operator. The computed phase angles are optimized through an adaptive adjustment based on the estimated increasing ratio of the consecutive amplitudes. The findings indicate an average decrease of 28% in the required number of iterations resulting in a faster overall process and fewer number of quantum gates. For large search space, this improvement rises to 29.58%. Given the computational capabilities of the computer utilized for the simulation, the approach is applied to instances with up to 12 qubits or 4096 possible combination of search entries. [ABSTRACT FROM AUTHOR]

Quantum genetic algorithms (QGA) integrate genetic programming and quantum computing to address search and optimization problems. The standard strategy of the hybrid QGA approach is to add quantum resources to classical genetic algorithms (GA), thus improving their efficacy (i.e., quantum optimization of a classical algorithm). However, the extent of such improvements is still unclear. Conversely, Reduced Quantum Genetic Algorithm (RQGA) is a fully quantum algorithm that reduces the GA search for the best fitness in a population of potential solutions to running Grover's algorithm. Unfortunately, RQGA finds the best fitness value and its corresponding chromosome (i.e., the solution or one of the solutions of the problem) in exponential runtime, O(2n/2), where n is the number of qubits in the individuals' quantum register. This article introduces a novel QGA optimization strategy, namely a classical optimization of a fully quantum algorithm, to address the RQGA complexity problem. Accordingly, we control the complexity of the RQGA algorithm by selecting a limited number of qubits in the individuals' register and fixing the remaining ones as classical values of '0' and '1' with a genetic algorithm. We also improve the performance of RQGA by discarding unfit solutions and bounding the search only in the area of valid individuals. As a result, our Hybrid Quantum Algorithm with Genetic Optimization (HQAGO) solves search problems in O(2(n−k)/2) oracle queries, where k is the number of fixed classical bits in the individuals' register. [ABSTRACT FROM AUTHOR]

This study develops a technology analysis to detect technological trajectories in quantum computing that can lay the foundation of a quantum industry. Study design considers data of 10,089 scientific products in 'quantum computing' over 1989–2020 period and 19,266 scientific products in 'quantum computer' over 1967–2020 period to cover all scientific production in this research field; a complementary analysis considers 8,505 patents over 1977–2020 in 'quantum computing' and 9,792 patents in 'quantum computer' over 1985–2020 period. Models of technological evolution applied here show main technological trajectories in quantum computing and computer and their rates of growth that suggest path-breaking directions in quantum technology, such as quantum optics, quantum information, quantum algorithms, quantum entanglement, quantum communication and quantum cryptography. Findings here provide information to extend the knowledge in the evolution of quantum computing and computers to support the management of these new technologies and R&D investments towards innovations generating industrial, economic and social change. [ABSTRACT FROM AUTHOR]

Summary: Since the dawn of quantum computing (QC), theoretical developments like Shor's algorithm proved the conceptual superiority of QC over traditional computing. However, such quantum supremacy claims are difficult to achieve in practice because of the technical challenges of realizing noiseless qubits. In the near future, QC applications will need to rely on noisy quantum devices that offload part of their work to classical devices. One way to achieve this is by using parameterized quantum circuits in optimization or even in machine learning tasks. The energy requirements of quantum algorithms have not yet been studied extensively. In this article, we explore several optimization algorithms using both theoretical insights and numerical experiments to understand their impact on energy consumption. Specifically, we highlight why and how algorithms like quantum natural gradient descent, simultaneous perturbation stochastic approximations or circuit learning methods, are at least 2×$$ 2\times $$ to 4×$$ 4\times $$ more energy efficient than their classical counterparts; why feedback‐based quantum optimization is energy‐inefficient; and how techniques like Rosalin can improve the energy efficiency of other algorithms by a factor of ≥$$ \ge $$20×$$ \times $$. Finally, we use the NchooseK high‐level programming model to run optimization problems on both gate‐based quantum computers and quantum annealers. Empirical data indicate that these optimization problems run faster, have better success rates, and consume less energy on quantum annealers than on their gate‐based counterparts. [ABSTRACT FROM AUTHOR]

Quantum annealing emerges as a promising approach for tackling complex scheduling problems such as the resource-constrained project scheduling problem (RCPSP). This study represents the first application of quantum annealing to solve the RCPSP, analyzing 12 well-known mixed integer linear programming (MILP) formulations and converting the most qubit-efficient one into a quadratic unconstrained binary optimization (QUBO) model. We then solve this model using the D-wave advantage 6.3 quantum annealer, comparing its performance against classical computer solvers. Our results indicate significant potential, particularly for small to medium-sized instances. Further, we introduce time-to-target and Atos Q-score metrics to evaluate the effectiveness of quantum annealing and reverse quantum annealing. The paper also explores advanced quantum optimization techniques, such as customized anneal schedules, enhancing our understanding and application of quantum computing in operations research. [ABSTRACT FROM AUTHOR]

Our study evaluates the limitations and potentials of Quantum Random Access Memory (QRAM) within the principles of quantum physics and relativity. QRAM is crucial for advancing quantum algorithms in fields like linear algebra and machine learning, purported to efficiently manage large data sets with O (log N) circuit depth. However, its scalability is questioned when considering the relativistic constraints on qubits interacting locally. Utilizing relativistic quantum field theory and Lieb–Robinson bounds, we delve into the causality-based limits of QRAM. Our investigation introduces a feasible QRAM model in hybrid quantum acoustic systems, capable of supporting a significant number of logical qubits across different dimensions-up to ~107 in 1D, ~1015 to ~1020 in 2D, and ~1024 in 3D, within practical operation parameters. This analysis suggests that relativistic causality principles could universally influence quantum computing hardware, underscoring the need for innovative quantum memory solutions to navigate these foundational barriers, thereby enhancing future quantum computing endeavors in data science. [ABSTRACT FROM AUTHOR]

A challenge in building large-scale superconducting quantum processors is the precise control and manipulation of the qubit state. However, the crosstalk between the microwave control lines impedes the parallel execution of high-fidelity digital and analog quantum operations. Here, we propose and demonstrate a universal compensation protocol for calibrating the microwave signal crosstalk. We also introduce amplified error sequences to optimize accuracy. Furthermore, we show a definitive improvement in parallel gate operations with crosstalk cancellation, demonstrating the technique's effectiveness. This work paves the way for superconducting hardware that features the automated calibration of microwave crosstalk, leading to enhanced fidelities in multiqubit circuits. [ABSTRACT FROM AUTHOR]

Quantum annealing emerges as a promising approach for tackling complex scheduling problems such as the resource-constrained project scheduling problem (RCPSP). This study represents the first application of quantum annealing to solve the RCPSP, analyzing 12 well-known mixed integer linear programming (MILP) formulations and converting the most qubit-efficient one into a quadratic unconstrained binary optimization (QUBO) model. We then solve this model using the D-wave advantage 6.3 quantum annealer, comparing its performance against classical computer solvers. Our results indicate significant potential, particularly for small to medium-sized instances. Further, we introduce time-to-target and Atos Q-score metrics to evaluate the effectiveness of quantum annealing and reverse quantum annealing. The paper also explores advanced quantum optimization techniques, such as customized anneal schedules, enhancing our understanding and application of quantum computing in operations research. [ABSTRACT FROM AUTHOR]

Silicon spin qubits are promising candidates for scalable quantum computers, due to their coherence and compatibility with CMOS technology. Advanced industrial processes ensure wafer-scale uniformity and high device yield, but traditional transistor processes cannot be directly transferred to qubit structures. To leverage the micro-electronics industry expertise, we customize a 300 mm wafer fabrication line for silicon MOS qubit integration. With careful optimization of the gate stack, we report uniform quantum dot operation at the Si/SiO2 interface at mK temperature. We measure a record-low average noise with a value of 0.61 μ eVH z − 0.5 at 1 Hz and even below 0.1 μ eVH z − 0.5 for some operating conditions. Statistical analysis of the charge noise measurements show that the noise source can be described by a two-level fluctuator model. This reproducible low noise level, in combination with uniform operation of our quantum dots, marks CMOS manufactured spin qubits as a mature platform towards scalable high-fidelity qubits. [ABSTRACT FROM AUTHOR]

Human intellectual restlessness originates from the need for knowledge of the modern world. The financial world is struggling to prototype accurate and fast data at low risk. The quantum approach to finance can support this desire. The goal of this paper is to provide a comprehensive review of the literature on how quantum computing can be used in finance. This research aims to expose an architecture of the state of the art in quantum finance. In terms of methodology, the PSALSAR framework was used to conduct this systematic literature review. The selection procedure followed the PRISMA guidelines and was applied in two databases (Web of Science and Scopus) without time limit. In total, 94 out of 1646 articles were included for data extraction and assessment of content evaluation covering the period 2001–2023. The current review of quantum finance literature is structured around the following themes: journals, research methods, tested data series, research topics in quantum finance, and future research directions. Within the financial sector, quantum computing is used in three main areas: simulation, optimization, and machine learning. These areas are supported by algorithms that have been created in recent years. Finally, we propose to highlight the benefits and the applications of quantum finance and to stimulate the interest in the future prospects of the debates. [ABSTRACT FROM AUTHOR]