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At least 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Tight Bounds from Multiple‐Observable Entropic Uncertainty Relations

Abstract The additivity properties for both bipartite and multipartite systems are investigated by using entropic uncertainty relations (EUR) defined in terms of the joint Shannon entropy of probabilities of local measurement outcomes. In particular, state‐independent and state‐dependent entropic inequalities are introduced. Interestingly, the violation of these inequalities is strictly connected with the presence of quantum correlations. It is shown that the additivity of EUR holds only for EUR that involve two observables, while this is not the case for inequalities that consider more than two observables or the addition of the von Neumann entropy of a subsystem. They are applied to bipartite systems and to several classes of states of a three‐qubit system.

Riccardi, Alberto↗
DOE OSTI2024

NuQKD: A Modular Quantum Key Distribution Simulation Framework for Engineering Applications

Abstract An experimental Quantum Key Distribution (QKD) implementation requires advanced costly hardware, unavailable in most research environments, making protocol testing and performance evaluation complicated. This has been a major motivation for the development of QKD simulation frameworks, to allow researchers to obtain insight before proceeding into practical implementations. Several simulators have been introduced over the recent years. However, only four are publicly available, only one of which models equipment imperfections. Currently, no open‐source simulator includes all following capabilities: channel attenuation modelling, equipment imperfections and effects on key rates, estimation of elapsed time during classical and quantum‐ channel processes, use of truly random binary sequences for qubits and measurement bases, shared ‐bit fraction customization. In this paper, we present NuQKD, an open‐ source modular, intuitive simulator, featuring all the above capabilities. NuQKD establishes communication between two computer terminals, accepts custom user inputs (iterations, raw key size, attacker interception rate etc.) and evaluates the sifted key, Quantum Bit Error Rate (QBER), elapsed communication time, and more. NuQKD capabilities include optical fiber and free ‐space simulation, modeling of equipment/channel imperfections, bitstrings from True Random Number Generators, decoy‐state protocol support, and automated evaluation of performance metrics. We expect NuQKD to enable convenient and accurate representation of actual experimental conditions.

Gkouliaras, Konstantinos↗
DOE OSTI2024

Quantum optimization algorithms: Energetic implications

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. Here 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 2x to 4x 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 ≥2 0 x. 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.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Electronic Structure of InAs and InSb Surfaces: Density Functional Theory and Angle-Resolved Photoemission Spectroscopy

The electronic structure of surfaces plays a key role in the properties of quantum devices. However, surfaces are also the most challenging to simulate and engineer. Here, in this work, the electronic structure of InAs(001), InAs(111), and InSb(110) surfaces is studied using a combination of density functional theory (DFT) and angle-resolved photoemission spectroscopy (ARPES). Large-scale first principles simulations are enabled by using DFT calculations with a machine-learned Hubbard U correction [npj Comput. Mater. 6, 180 (2020)]. To facilitate direct comparison with ARPES results, a “bulk unfolding” scheme is implemented by projecting the calculated band structure of a supercell surface slab model onto the bulk primitive cell. For all three surfaces, a good agreement is found between DFT calculations and ARPES. For InAs(001), the simulations clarify the effect of the surface reconstruction. Different reconstructions are found to produce distinctive surface states, which may be detected by ARPES with low photon energies. For InAs(111) and InSb(110), the simulations help elucidate the effect of oxidation. Owing to larger charge transfer from As to O than from Sb to O, oxidation of InAs(111) leads to significant band bending and produces an electron pocket, whereas oxidation of InSb(110) does not. The combined theoretical and experimental results may inform the design of quantum devices based on InAs and InSb semiconductors, for example, topological qubits utilizing the Majorana zero modes.

42 ENGINEERING↗
DOE OSTI2022

Molecular Vibrational Polaritons Towards Quantum Technologies

In this paper molecular vibrational polaritons (MVPs)—a hybrid molecular-photon quasiparticle—and the development of a proof-of-principle quantum technology platform are discussed to simulate coherence transfer, for use at room temperature. It is shown that MVPs can form qubits, coherence, and have nonlinear interactions, all at room temperature. Some new insights, such as polaritonic nonlinearity dependence on macroscopic properties including cavity thickness and molecular concentrations are also uncovered. It is hoped that these advances can stimulate more research in developing this system into a quantum technology platform free from the constraints imposed by the requirement of cryogenic conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Anomalous Loss Reduction Below Two‐Level System Saturation in Aluminum Superconducting Resonators

Superconducting resonators are widely used in many applications such as qubit readout for quantum computing, and kinetic inductance detectors. These resonators are susceptible to numerous loss and noise mechanisms, especially the dissipation due to two-level systems (TLS) which become the dominant source of loss in the few-photon and low temperature regime. In this study, capacitively-coupled aluminum half-wavelength coplanar waveguide resonators are investigated. Surprisingly, the loss of the resonators is observed to decrease with a lowering temperature at low excitation powers and temperatures below the TLS saturation. This behavior is attributed to the reduction of the TLS resonant response bandwidth with decreasing temperature and power to below the detuning between the TLS and the resonant photon frequency in a discrete ensemble of TLS. When response bandwidths of TLS are smaller than their detunings from the resonance, the resonant response and thus the loss is reduced. At higher excitation powers, the loss follows a logarithmic power dependence, consistent with predictions from the generalized tunneling model (GTM). A model combining the discrete TLS ensemble with the GTM is proposed and matches the temperature and power dependence of the measured internal loss of the resonator with reasonable parameters.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Efficient Simulation of Open Quantum Systems on NISQ Trapped‐Ion Hardware

Abstract Simulating open quantum systems, which interact with external environments, presents significant challenges on noisy intermediate‐scale quantum (NISQ) devices due to limited qubit resources and noise. In this study, an efficient framework is proposed for simulating open quantum systems on NISQ hardware by leveraging a time‐perturbative Kraus operator representation of the system's dynamics. This approach avoids the computationally expensive Trotterization method and exploits the Lindblad master equation to represent time evolution in a compact form, particularly for systems satisfying specific commutation relations. The efficiency of this method is demonstrated by simulating quantum channels, such as the continuous‐time Pauli channel and damped harmonic oscillators, on NISQ trapped‐ion hardware, including IonQ Harmony and Quantinuum H1‐1. Additionally, hardware‐agnostic error mitigation techniques are introduced, including Pauli channel fitting and quantum depolarizing channel inversion, to enhance the fidelity of quantum simulations. These results show strong agreement between the simulations on real quantum hardware and exact solutions, highlighting the potential of Kraus‐based methods for scalable and accurate simulation of open quantum systems on NISQ devices. This framework opens pathways for simulating more complex systems under realistic conditions in the near term.

Burdine, Colin [Department of Electrical and Compu↗
DOE OSTI2024

A model of randomly-coupled Pauli spins

Abstract We construct a model of Pauli spin operators with all-to-all 4-local interactions by replacing Majorana fermions in the SYK model with spin operators. Equivalently, we replace fermions with hard-core bosons. We study this model numerically and compare the properties with those of the SYK model. We observe a striking quantitative coincidence between the spin model and the SYK model, which suggests that this spin model is strongly chaotic and, perhaps, can play some role in holography. We also discuss the path-integral approach with multi-local fields and the possibility of quantum simulations. This model may be an interesting target for quantum simulations because Pauli spins are easier to implement than fermions on qubit-based quantum devices.

Physics↗
DOE OSTI2025

Quantum computation of SU(2) lattice gauge theory with continuous variables

We present a quantum computational framework for pure SU(2) lattice gauge theory, using continuous variables instead of discrete qubits to represent the infinite-dimensional Hilbert space of the gauge fields. We consider a ladder as well as a two-dimensional grid of plaquettes, detailing the use of gauge fixing to reduce the degrees of freedom and simplify the Hamiltonian. We demonstrate how system dynamics, ground states, and energy gaps can be computed using the continuous-variable approach to quantum computing. Our results indicate that it is feasible to study non-Abelian gauge theories with continuous variables, providing new avenues for understanding the real-time dynamics of quantum field theories.

Gauge Symmetry↗
DOE OSTI2023

Quantum error correction from complexity in Brownian SYK

We study the robustness of quantum error correction in a one-parameter ensemble of codes generated by the Brownian SYK model, where the parameter quantifies the encoding complexity. The robustness of error correction by a quantum code is upper bounded by the “mutual purity” of a certain entangled state between the code subspace and environment in the isometric extension of the error channel, where the mutual purity of a density matrix ρAB is the difference $\mathcal{F}$ p ($A : B$) ≡ $\mathrm{T}$r $p^{2}_{AB}$ - $\mathrm{T}$r $p^{2}_{A}$ $\mathrm{T}$r $p^{2}_{B}$. We show that when the encoding complexity is small, the mutual purity is O(1) for the erasure of a small number of qubits (i.e., the encoding is fragile). However, this quantity decays exponentially, becoming O(1/N) for O(log N) encoding complexity. Further, at polynomial encoding complexity, the mutual purity saturates to a plateau of O(e -N ). We also find a hierarchy of complexity scales associated to a tower of subleading contributions to the mutual purity that quantitatively, but not qualitatively, adjust our error correction bound as encoding complexity increases. In the AdS/CFT context, our results suggest that any portion of the entanglement wedge of a general boundary subregion A with sufficiently high encoding complexity is robustly protected against low-rank errors acting on A with no prior access to the encoding map. From the bulk point of view, we expect such bulk degrees of freedom to be causally inaccessible from the region A despite being encoded in it.

1/N expansion↗
DOE OSTI2025

Entanglement maximization and mirror symmetry in two-Higgs-doublet models

We consider 2-to-2 scatterings of Higgs bosons in a CP-conserving two-Higgs-doublet model (2HDM) and study the implication of maximizing the entanglement in the flavor space, where the two doublets Φ a , a = 1, 2, can be viewed as a qubit: Φ 1 = |0⟩ and Φ 2 = |1⟩. More specifically, we compute the scattering amplitudes for Φ a Φ b → Φ c Φ d and require the outgoing flavor entanglement to be maximal for a full product basis such as the computational basis, which consists of {|00⟩, |01⟩, |10⟩, |11⟩}. In the unbroken phase and turning off the gauge interactions, entanglement maximization results in the appearance of an U(2) × U(2) global symmetry among the quartic couplings, which in general is broken softly by the mass terms. Interestingly, once the Higgs bosons acquire vacuum expectation values, maximal entanglement enforces an exact U(2) × U(2) symmetry, which is spontaneously broken to U(1) × U(1). As a byproduct, this gives rise to Higgs alignment as well as to the existence of 6 massless Nambu-Goldstone bosons. The U(2) × U(2) symmetry can be gauged to lift the massless Goldstones, while maintaining maximal entanglement demands the presence of a discrete Z 2 symmetry interchanging the two gauge sectors. The model is custodially invariant in the scalar sector, and the inclusion of fermions requires a mirror dark sector, related to the standard one by the Z 2 symmetry.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Broadband Fourier-Transform-Detected EPR at W-Band

This manuscript reports development of wideband Fourier transform (FT) electron paramagnetic resonance (EPR) detection capability at the uniquely high frequency of 94 GHz. Here, this technique is based on the HiPER spectrometer developed at the University of St. Andrews, into which we have integrated an arbitrary waveform generator (AWG) that is used to modulate the output from a solid-state multiplier chain prior to amplification, generating up to 1 kW microwave power with 1 GHz bandwidth. Benchmark experiments are presented for a standard TEMPOL radical, which comprises a 500 MHz broad EPR spectrum at 94 GHz. Using a single frequency-swept microwave pulse, efficient inversion of this spectrum is demonstrated, enabling frequency-dependent studies of the magnetization relaxation in the time-domain, again via broadband echo detection. From these measurements, an anisotropy in the spin–lattice relaxation time, T 1 , can be determined with ease for TEMPOL. In addition, we implement the FT detection scheme for multi-dimensional (electron–electron double resonance, or ELDOR) experiments, demonstrating the full capabilities of the HiPER spectrometer. As an example, we present FT-detected version of the ELDOR-detected nuclear magnetic resonance technique for the TEMPOL radical. We also describe potential applications of the new instrumentation for studies of gadolinium qubits.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Performance evaluations of signed and unsigned noisy approximate quantum Fourier arithmetic

The Quantum Fourier Transform (QFT) grants competitive advantages, especially in resource usage and circuit approximation, for performing arithmetic operations on quantum computers, and offers a potential route toward a numerical quantum-computational paradigm. In this paper, we utilize efficient techniques to implement QFT-based integer addition and multiplications. These operations are fundamental to various quantum applications including Shor’s algorithm, weighted-sum optimization problems in data processing and machine learning, and quantum algorithms requiring inner products. We carry out performance evaluations of these implementations based on IBM’s superconducting-qubit architecture using different compatible noise models. We isolate the sensitivity of the component quantum circuits on both one-/two-qubit gate error rates, and the number of the arithmetic operands’ superposed integer states. We analyze performance and identify the most effective approximation depths for unsigned quantum addition and quantum multiplication within the given context. We then perform a similar analysis of signed addition and compare to the unsigned results. We observe significant dependency of the optimal approximation depth on the degree of machine noise and the number of superposed states in certain performance regimes. Finally, we elaborate on the algorithmic challenges—relevant to signed, unsigned, modular and non-modular versions—that could also be applied to current implementations of QFT-based subtraction, division, exponentiation, and their potential tensor extensions. Here, we analyze the performance trends in our results and speculate on possible future developments within this computational paradigm.

Computational models↗
DOE OSTI2021

Investigating the Chinese postman problem on a quantum annealer

The recent availability of quantum annealers has fueled a new area of information technology where such devices are applied to address practically motivated and computationally difficult problems with hardware that exploits quantum mechanical phenomena. D-Wave annealers are promising platforms to solve these problems in the form of quadratic unconstrained binary optimization. Here we provide a formulation of the Chinese postman problem that can be used as a tool for probing the local connectivity of graphs and networks. We treat the problem classically with a tabu algorithm and simulated annealing, and using a D-Wave device. The efficiency of quantum annealing with respect to the simulated annealing has been demonstrated using the optimal time to solution metric. We systematically analyze computational parameters associated with the specific hardware. Our results clarify how the interplay between the embedding due to limited connectivity of the Chimera graph, the definition of logical qubits, and the role of spin-reversal controls the probability of reaching the expected solution

36 MATERIALS SCIENCE↗
DOE OSTI2024

Parallel hybrid quantum-classical machine learning for kernelized time-series classification

Supervised time-series classification garners widespread interest because of its applicability throughout a broad application domain including finance, astronomy, biosensors, and many others. Here, in this work, we tackle this problem with hybrid quantum-classical machine learning, deducing pairwise temporal relationships between time-series instances using a timeseries Hamiltonian kernel (TSHK). A TSHK is constructed with a sum of inner products generated by quantum states evolved using a parameterized time evolution operator. This sum is then optimally weighted using techniques derived from multiple kernel learning. Because we treat the kernel weighting step as a differentiable convex optimization problem, our method can be regarded as an end-to-end learnable hybrid quantum-classical-convex neural network, or QCC-net, whose output is a data set-generalized kernel function suitable for use in any kernelized machine learning technique such as the support vector machine (SVM). Using our TSHK as input to a SVM, we classify univariate and multivariate time-series using quantum circuit simulators and demonstrate the efficient parallel deployment of the algorithm to 127-qubit superconducting quantum processors using quantum multi-programming.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Boltzmann machine modeling of layered MoS 2 synthesis on a quantum annealer

Two-dimensional layered materials are usually synthesized by chemical vapor deposition (CVD). Here we use the Restricted Boltzmann Machine (RBM) and its enhancement called Limited Boltzmann Machine (LBM) on a quantum computer to model the chemical vapor deposition (CVD) growth data for a MoS 2 monolayer. The CVD data for Boltzmann machines are generated by reactive molecular dynamics (RMD) simulations. The Boltzmann machines give insight into the semiconducting (2H) and metallic (1T) phases and defects generated during the CVD growth of MoS 2 . We compare the performances of the two types of Boltzmann machine models, i.e. RBM versus augmented topologies with limited intra-layer coupling between the hidden units (LBM). We show that limited topologies have a performance advantage over restricted topologies. We examine connectivity within our topological variants, explore hardware qubit mapping schemes, and discuss what performance differences may imply about locality within the data without prior knowledge.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Quantum computing approach for building surface sunlit in urban-scale energy modeling

Solar shadow calculations are needed in building energy modeling and performance simulation of PV systems installed on roofs or facades of buildings. We present a quantum computing approach for calculation of building surface sunlit fractions by recasting solar visibility as a binary optimization problem solved by quantum annealing. Each triangulated surface centroid is encoded as a binary qubit indicating sunlit or shaded status. Geometric visibility constraints are derived from the Möller-Trumbore intersection algorithm and converted into a constrained quadratic binary model compatible with contemporary quantum annealers. The coefficients were embedded to D-Wave quantum computer. To demonstrate feasibility, we conducted a case study in San Francisco for a target building with 52 triangles and roughly 2700 nearby triangles within 50 m evaluated at representative winter and summer solar positions. The results demonstrated that quantum annealing can reliably calculate and distinguish sunlit from shaded surfaces. Quantum samples achieved average accuracy exceeding 92.4 %, with the aggregate surface-level agreement approaching 99.9 %. The outputs of quantum computers agreed closely with classical algorithms, indicating practical feasibility and promising scalability. Finally, the hourly sunlit fractions of building surfaces can be obtained for urban energy modelling. This is the first study to apply quantum computing to the solar shadow and building surface sunlit calculation. It introduces a new paradigm that differs fundamentally from traditional approaches.

Deng, Zhipeng↗
DOE OSTI2024

Parallel quantum computing simulations via quantum accelerator platform virtualization

Quantum circuit execution is a central task in quantum computation. Due to inherent quantum-mechanical constraints, quantum computing workflows often involve a considerable number of independent measurements over a large set of slightly different quantum circuits. Here we discuss a simple model for parallelizing such quantum circuit executions that is based on introducing a large array of virtual quantum processing units (mapped to HPC nodes in our case) as a parallel quantum computing platform. Implemented within the XACC framework, the model can readily take advantage of its backend-agnostic features, enabling parallel quantum computing/simulation over any target backend supported by XACC. We illustrate the performance of this approach by demonstrating strong scaling in two pertinent domain science problems, namely in computing the gradients for the multi-contracted variational quantum eigensolver and in data-driven quantum circuit learning, where we vary the number of qubits and the number of circuit layers. Here, the latter simulation leverages the cuQuantum library to run efficiently on GPU-accelerated HPC platforms.

97 MATHEMATICS AND COMPUTING↗