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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Computable and Operationally Meaningful Multipartite Entanglement Measures

Multipartite entanglement is an essential resource for quantum communication, quantum computing, quantum sensing, and quantum networks. The utility of a quantum state |ψ$\rangle$ for these applications is often directly related to the degree or type of entanglement present in |ψ$\rangle$. Therefore, efficiently quantifying and characterizing multipartite entanglement is of paramount importance. Here, in this work, we introduce a family of multipartite entanglement measures, called concentratable entanglements. Several well-known entanglement measures are recovered as special cases of our family of measures, and hence we provide a general framework for quantifying multipartite entanglement. We prove that the entire family does not increase, on average, under local operations and classical communications. We also provide an operational meaning for these measures in terms of probabilistic concentration of entanglement into Bell pairs. Finally, we show that these quantities can be efficiently estimated on a quantum computer by implementing a parallelized SWAP test, opening up a research direction for measuring multipartite entanglement on quantum devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Increasing the Measured Effective Quantum Volume with Zero Noise Extrapolation

Quantum volume is a full-stack benchmark for near-term quantum computers. It quantifies the largest size of a square circuit which can be executed on the target device with reasonable fidelity. Error mitigation is a set of techniques intended to remove the effects of noise present in the computation of noisy quantum computers when computing an expectation value of interest. Effective quantum volume is a proposed metric that applies error mitigation to the quantum volume protocol to evaluate the effectiveness not only of the target device but also of the error mitigation algorithm. Digital zero-noise extrapolation is an error mitigation technique that estimates the noiseless expectation value using circuit folding to amplify errors by known scale factors and then extrapolating computed expectation values to the zero-noise limit. Here we demonstrate that zero-noise extrapolation, with global and local unitary folding with fractional scale factors, in conjunction with dynamical decoupling, can increase the effective quantum volume over the vendor-measured quantum volume. Specifically, we measure the effective quantum volume of four IBM Quantum superconducting processor units, obtaining values that are larger than the vendor-measured quantum volume on each device. This is the first such increase reported.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Bridging paradigms: Designing for HPC-Quantum convergence

Here, this paper presents a comprehensive software stack architecture for integrating quantum computing (QC) capabilities with High-Performance Computing (HPC) environments. While quantum computers show promise as specialized accelerators for scientific computing, their effective integration with classical HPC systems presents significant technical challenges. We propose a hardware-agnostic software framework that supports both current noisy intermediate-scale quantum devices and future fault-tolerant quantum computers, while maintaining compatibility with existing HPC workflows. The architecture includes a quantum gateway interface, standardized APIs for resource management, and robust scheduling mechanisms to handle both simultaneous and interleaved quantum–classical workloads. Key innovations include: (1) a unified resource management system that efficiently coordinates quantum and classical resources, (2) a flexible quantum programming interface that abstracts hardware-specific details, (3) A Quantum Platform Manager API that simplifies the integration of various quantum hardware systems, and (4) a comprehensive tool chain for quantum circuit optimization and execution. We demonstrate our architecture through implementation of quantum–classical algorithms, including the variational quantum linear solver, showcasing the framework’s ability to handle complex hybrid workflows while maximizing resource utilization. This work provides a foundational blueprint for integrating QC capabilities into existing HPC infrastructures, addressing critical challenges in resource management, job scheduling, and efficient data movement between classical and quantum resources.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Electronic structure simulations in the cloud computing environment

The transformative impact of modern computational paradigms and technologies, such as high-performance computing, quantum computing, and cloud computing, has opened up profound new opportunities for scientific simulations. Scalable computational chemistry is one beneficiary of this technological progress. The main focus of this paper is on the performance of various quantum chemical formulations, ranging from low-order methods to high-accuracy approaches, implemented in different computational chemistry packages, such as NWChem, NWChemEx, SPEC, ExaChem, and FLOSIC codes on the Azure Quantum Element (AQE) Microsoft cloud services. We pay particular attention to the intricate workflows for performing composite chemistry simulations, associated data curation, and mechanisms for accuracy assessment, as defined by the enabling cloud Computational Chemistry as a Service (CCaaS). Our focus also extends to Arrows' automated workflow for high throughput simulations. Finally, we provide a perspective on the role of cloud computing in supporting the mission of leadership computational facilities (LCFs).

computational chemistry, electronic structure, Clo↗
DOE OSTI2022

A QUBO formulation for top-τ eigencentrality nodes

The efficient calculation of the centrality or “hierarchy” of nodes in a network has gained great relevance in recent years due to the generation of large amounts of data. The eigenvector centrality (aka eigencentrality) is quickly becoming a good metric for centrality due to both its simplicity and fidelity. In this work we lay the foundations for solving the eigencentrality problem of ranking the importance of the nodes of a network with scores from the eigenvector of the network, using quantum computational paradigms such as quantum annealing and gate-based quantum computing. The problem is reformulated as a quadratic unconstrained binary optimization (QUBO) that can be solved on both quantum architectures. The results focus on correctly identifying a given number of the most important nodes in numerous networks given by the sparse vector solution of our QUBO formulation of the problem of identifying the top- τ highest eigencentrality nodes in a network on both the D-Wave and IBM quantum computers.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Digital zero noise extrapolation for quantum error mitigation

Zero-noise extrapolation (ZNE) is an increasingly popular technique for mitigating errors in noisy quantum computations without using additional quantum resources. We review the fundamentals of ZNE and propose several improvements to noise scaling and extrapolation, the two key components in the technique. We introduce unitary folding and parameterized noise scaling. Furthermore, these are digital noise scaling frameworks, i.e. one can apply them using only gate-level access common to most quantum instruction sets. We also study different extrapolation methods, including a new adaptive protocol that uses a statistical inference framework. Benchmarks of our techniques show error reductions of 18X to 24X over non-mitigated circuits and demonstrate ZNE effectiveness at larger qubit numbers than have been tested previously. In addition to presenting new results, this work is a self-contained introduction to the practical use of ZNE by quantum programmers.

quantum computing↗
DOE OSTI2023

Inventory of Public Key Cryptography in US Electric Vehicle Charging

Electric vehicles (EVs) and charging infrastructure are networked systems, which employ high-level communications in support of charging and grid service decisions. Public key cryptography (PKC) underlies much of the security and privacy protections of the information exchange. We are entering a new epoch where quantum computing threats must be seriously considered. A sufficiently large quantum computer, so named Cryptographically Relevant Quantum Computer (QRQC), will be able to perform the mathematical operations to efficiently attack the underpinnings of traditional PKC, thus jeopardizing the digital foundations for trust, communications security, and data security. Estimates suggest a QRQC can break public key encryption and digital signatures in the manner of tens to hundreds of hours, compared to traditional computing that would demand more than 10 18 years in a brute force-style attack. A consensus belief of quantum theorists, quantum experimenters, and cryptographers suggest that the quantum threat will be likely realized in the next twenty years. To address the threat, post-quantum cryptography, which is cryptosystems that are designed to be secure against both traditional and quantum computing threats, must be adopted. Migration from traditional PKC to quantum-resilient cryptography is a global undertaking and likely represents the largest transition in computing history. The nascent state of EV public key infrastructure, combined with limited adoption of the vehicle secure charging features, presents an opportunity to establish a preference for quantum-resistant cryptography as a step on the migration path. Delays will stunt the efforts as rapidly accelerating EVs sales and huge infrastructure investments will create large growing bases of long-lived vehicles and infrastructure. Migration preparations can commence while NIST continues the process to standardize post-quantum cryptography (PQC), which are quantum-resilient algorithms designed to be secure against traditional and quantum computing threats. The first step in preparing EV charging is to identify the presence of traditional public key cryptography algorithms and applications. With this objective in mind, this report is intended to advise the vehicle manufacturers, charging station manufacturers, charging station operators, charge network providers and other EV charging stakeholders with information on traditional PKC application and the potential risks when PKC becomes insecure. This report, the first in a series of reports discussing the topics existing at the confluence of post-quantum cryptography adoption and EV charging, identifies traditional public key applications employed and identifies potential consequences of leaving EV charging infrastructure vulnerable to quantum computing. The focus remains squarely on the of EV charging and infrastructure with respect to PKC and is believed by the authors to complement the NIST SP 1800-38 Migration to Post-Quantum Cryptography. While the report is centered on infrastructure, there are implications to vehicles.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Exploring the scaling limitations of the variational quantum eigensolver with the bond dissociation of hydride diatomic molecules

Abstract Materials simulations involving strongly correlated electrons pose fundamental challenges to state‐of‐the‐art electronic structure methods but are hypothesized to be the ideal use case for quantum computing algorithms. To date, no quantum computer has simulated a molecule of a size and complexity relevant to real‐world applications, despite the fact that the variational quantum eigensolver (VQE) algorithm can predict chemically accurate total energies. Nevertheless, because of the many applications of moderately sized, strongly correlated systems, such as molecular catalysts, the successful use of the VQE stands as an important waypoint in the advancement toward useful chemical modeling on near‐term quantum processors. In this paper, we take a significant step in this direction. We lay out the steps, write, and run parallel code for an (emulated) quantum computer to compute the bond dissociation curves of the TiH, LiH, NaH, and KH diatomic hydride molecules using the VQE. TiH was chosen as a relatively simple chemical system that incorporates d orbitals and strong electron correlation. Because current VQE implementations on existing quantum hardware are limited by qubit error rates, the number of qubits available, and the allowable gate depth, recent studies using it have focused on chemical systems involving s and p block elements. Through VQE + UCCSD calculations of TiH, we evaluate the near‐term feasibility of modeling a molecule with d‐orbitals on real quantum hardware. We demonstrate that the inclusion of d‐orbitals and the use of the UCCSD ansatz, which are both necessary to capture the correct TiH physics, dramatically increase the cost of this problem. We estimate the approximate error rates necessary to model TiH on current quantum computing hardware using VQE + UCCSD and show them to likely be prohibitive until significant improvements in hardware and error correction algorithms are available.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Improving Signal-to-Noise Ratio (SNR) for Readout Signals Using Adaptive Filters on Reconfigurable Controls Hardware

This study investigates the optimization of Signal-to-Noise Ratio (SNR) in superconducting quantum computing readout signals through adaptive filtering. Quantum computing technology has the potential to revolutionize various fields by delivering exponential speedup in solving certain computational problems. However, the technology's practical implementation is hindered by the difficulty of extracting clean, reliable signals during the readout phase, with various sources of noise presenting a significant barrier to clean signals. This noise, often present in readout profiles due to imperfect isolation, degrades the system's overall SNR, thus impeding the ability to extract the quantum state accurately. The research leverages the power of adaptive filtering to improve the SNR of quantum computing readout signals. Specifically, an adaptive filter is implemented in a PYNQ overlay on an FPGA, and eventually will be connected to a quantum computing system. The system models the noise with a Least Mean Squares (LMS) adaptive filter, and then subtracts the estimated noise from the received signal to improve the SNR. A Direct Memory Access (DMA) channel is used to handle the signal processing, delivering efficient, high-speed data transfer between the PYNQ system and the hardware. The study explores the benefits of this adaptive filtering technique, potentially providing a significant contribution to practical and fast quantum computing.

Johnson, Hans↗
DOE OSTI2023

Improving Signal-to-Noise Ratio (SNR) for Readout Signals Using Adaptive Filters on Reconfigurable Controls Hardware

This study investigates the optimization of Signal-to-Noise Ratio (SNR) in superconducting quantum computing readout signals through adaptive filtering. Quantum computing technology has the potential to revolutionize various fields by delivering exponential speedup in solving certain computational problems. However, the technology's practical implementation is hindered by the difficulty of extracting clean, reliable signals during the readout phase, with various sources of noise presenting a significant barrier to clean signals. This noise, often present in readout profiles due to imperfect isolation, degrades the system's overall SNR, thus impeding the ability to extract the quantum state accurately. The research leverages the power of adaptive filtering to improve the SNR of quantum computing readout signals. Specifically, an adaptive filter is implemented in a PYNQ overlay on an FPGA, and eventually will be connected to a quantum computing system. The system models the n oise with a Least Mean Squares (LMS) adaptive filter, and then subtracts the estimated noise from the received signal to improve the SNR. A Direct Memory Access (DMA) channel is used to handle the signal processing, delivering efficient, high-speed data transfer between the PYNQ system and the hardware. The study explores the benefits of this adaptive filtering technique, potentially providing a significant contribution to practical and fast quantum computing.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Graph states of atomic ensembles engineered by photon-mediated entanglement

Abstract Graph states are a broad family of entangled quantum states, each defined by a graph composed of edges representing the correlations between subsystems. Such states constitute versatile resources for quantum computation and quantum-enhanced measurement. Their generation and engineering require a high level of control over entanglement. Here we report on the generation of continuous-variable graph states of atomic spin ensembles, which form the nodes of the graph. We program the entanglement structure encoded in the graph edges by combining global photon-mediated interactions in an optical cavity with local spin rotations. By tuning the entanglement between two subsystems, we either localize correlations within each subsystem or enable Einstein–Podolsky–Rosen steering—a strong form of entanglement that enables the extraction of precise information from one subsystem through measurements on the other. We further engineer a four-mode square graph state, highlighting the flexibility of our approach. Our method is scalable to larger and more complex graphs, laying groundwork for measurement-based quantum computation and advanced protocols in quantum metrology.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Analysis of RF Surface Loss in a Planar 2D Qubit

The Josephson junction and shunt capacitor form a transmon qubit, which is the cornerstone of modern quantum computing platforms. For reliable quantum computing, it is important how long a qubit can remain in a superposition of quantum states, which is determined by the coherence time (T1). The coherence time of a qubit effectively sets the "lifetime" of usable quantum information, determining how long quantum computations can be performed before errors occur and information is lost. There are several sources of decoherence in transmon qubits, but the predominant one is generally considered to be dielectric losses in the natural oxide layer formed on the surface of the superconductor. In this paper, we present a numerical study of microwave surface losses in planar superconducting antennas of different transmon qubit designs. An asymptotic method for estimating the energy participation ratio in ultrathin films of nanometer scales is proposed, and estimates are given for the limits of achievable minimum RF losses depending on the electrical properties of the surface oxide and the interface of the qubit with the substrate material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

A Novel Spatial-Temporal Variational Quantum Circuit to Enable Deep Learning on NISQ Devices

Quantum computing presents a promising approach for machine learning with its capability for extremely parallel computation in high-dimension through superposition and entanglement. Despite its potential, existing quantum learning algorithms, such as Variational Quantum Circuits (VQCs), face challenges in handling more complex datasets, particularly those that are not linearly separable. What’s more, it encounters the deployability issue, making the learning models suffer a drastic accuracy drop after deploying them to the actual quantum devices. To overcome these limitations, this paper proposes a novel spatial-temporal design, namely “ST-VQC”, to integrate nonlinearity in quantum learning and improve the robustness of the learning model to noise. Specifically, ST-VQC can extract spatial features via a novel block-based encoding quantum sub-circuit coupled with a layer-wise computation quantum sub-circuit to enable temporal-wise deep learning. Additionally, a SWAP-Free physical circuit design is devised to improve robustness. These designs bring a number of hyperparameters. After a systematic analysis of the design space for each design component, an automated optimization framework is proposed to generate the ST-VQC quantum circuit. The proposed ST-VQC has been evaluated on two IBM quantum processors, ibm-cairo with 27 qubits and ibmq-lima with 7 qubits to assess its effectiveness. The results of the evaluation on the standard dataset for binary classification show that ST-VQC can achieve over 30% accuracy improvement compared with existing VQCs on actual quantum computers. Moreover, on a non-linear synthetic dataset, the STVQC outperforms a linear classifier by 27.9%, while the linear classifier using classical computing outperforms the existing VQC by 15.58%.

Li, Jinyang↗
DOE OSTI2024

Fault localization in a microfabricated surface ion trap using diamond nitrogen-vacancy center magnetometry

Here, as quantum computing hardware becomes more complex with ongoing design innovations and growing capabilities, the quantum computing community needs increasingly powerful techniques for fabrication failure root-cause analysis. This is especially true for trapped-ion quantum computing. As trapped-ion quantum computing aims to scale to thousands of ions, the electrode numbers are growing to several hundred, with likely integrated photonic components also adding to the electrical and fabrication complexity, making faults even harder to locate. In this work, we used a high-resolution quantum magnetic imaging technique, based on nitrogen-vacancy centers in diamond, to investigate short-circuit faults in an ion trap chip. We imaged currents from these short-circuit faults to ground and compared them to intentionally created faults, finding that the root cause of the faults was failures in the on-chip trench capacitors. This work, where we exploited the performance advantages of a quantum magnetic sensing technique to troubleshoot a piece of quantum computing hardware, is a unique example of the evolving synergy between emerging quantum technologies to achieve capabilities that were previously inaccessible.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Quantum Communication Networks for Energy Applications: Review and Perspective

Abstract The energy sector is expected to undergo significant changes in the coming decades with the advent of new technologies, including smart grid development, microgrid expansion, increasing electric vehicle and renewable energy usage, and enhanced measures to minimize greenhouse gas emission, among others. In tandem, these changes are expected to create new opportunities for the deployment of quantum technologies within the energy sector. Building on the authors' previous reviews on the current state of and future opportunities for quantum sensing, quantum computing and quantum simulations for energy sector applications, this work provides an overview of recent progress in quantum networking and communications for the energy industry, with a focus on platforms, devices, and protocols, including quantum teleportation and quantum key distribution. Specific areas of relevance to the energy sector are then analyzed, including the role of quantum networks for greenhouse gas monitoring, secure data collection and transmission in smart grids, nuclear power plants’ safety, facilitating oil and gas exploration, and other energy‐relevant applications. This review concludes with a brief overview of areas for future innovation, including the need for platforms for simulating quantum networks, quantum material and platform design, and computational approaches to accelerate quantum protocol discovery and development.

Paudel, Hari P.↗
DOE OSTI2024

Explicit Quantum Circuits for Block Encodings of Certain Sparse Matrices

Many standard linear algebra problems can be solved on a quantum computer by using recently developed quantum linear algebra algorithms that make use of block encodings and quantum eigenvalue/singular value transformations. A block encoding embeds a properly scaled matrix of interest A in a larger unitary transformation U that can be decomposed into a product of simpler unitaries and implemented efficiently on a quantum computer. Although quantum algorithms can potentially achieve exponential speedup in solving linear algebra problems compared to the best classical algorithm, such a gain in efficiency ultimately hinges on our ability to construct an efficient quantum circuit for the block encoding of A, which is difficult in general, and not trivial even for well structured sparse matrices. Here, in this paper, we give a few examples on how efficient quantum circuits can be explicitly constructed for some well structured sparse matrices and discuss a few strategies used in these constructions. We also provide implementations of these quantum circuits in MATLAB.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Let Each Quantum Bit Choose Its Basis Gates

Near-term quantum computers are primarily limited by errors in quantum operations (or gates) between two quantum bits (or qubits). A physical machine typically provides a set of basis gates that include primitive 2-qubit (2Q) and 1-qubit (1Q) gates that can be implemented in a given technology. 2Q entangling gates, coupled with some 1Q gates, allow for universal quantum computation. In superconducting technologies, the current state of the art is to implement the same 2Q gate between every pair of qubits (typically an XX-or XY-type gate). This strict hardware uniformity requirement for 2Q gates in a large quantum computer has made scaling up a time and resource-intensive endeavor in the lab. We propose a radical idea – allow the 2Q basis gate(s) to differ between every pair of qubits, selecting the best entangling gates that can be calibrated between given pairs of qubits. This work aims to give quantum scientists the ability to run meaningful algorithms with qubit systems that are not perfectly uniform. Scientists will also be able to use a much broader variety of novel 2Q gates for quantum computing. We develop a theoretical framework for identifying good 2Q basis gates on “nonstandard” Cartan trajectories that deviate from “standard” trajectories like XX. We then introduce practical methods for calibration and compilation with nonstandard 2Q gates, and discuss possible ways to improve the compilation. To demonstrate our methods in a case study, we simulated both standard XY-type trajectories and faster, nonstandard trajectories using an entangling gate architecture with far-detuned transmon qubits. We identify efficient 2Q basis gates on these nonstandard trajectories and use them to compile a number of standard benchmark circuits such as QFT and QAOA. Furthermore, our results demonstrate an 8x improvement over the baseline 2Q gates with respect to speed and coherence-limited gate fidelity.

quantum computing↗
DOE OSTI2022

Algebraic Bethe Circuits

The Algebraic Bethe Ansatz (ABA) is a highly successful analytical method used to exactly solve several physical models in both statistical mechanics and condensed-matter physics. Here we bring the ABA into unitary form, for its direct implementation on a quantum computer. This is achieved by distilling the non-unitary R matrices that make up the ABA into unitaries using the QR decomposition. Our algorithm is deterministic and works for both real and complex roots of the Bethe equations. We illustrate our method on the spin-$\frac{1}{2}$ XX and XXZ models. We show that using this approach one can efficiently prepare eigenstates of the XX model on a quantum computer with quantum resources that match previous state-of-the-art approaches. We run small-scale error mitigated implementations on the IBM quantum computers, including the preparation of the ground state for the XX and XXZ models on 4 sites. Finally, we derive a new form of the Yang-Baxter equation using unitary matrices, and also verify it on a quantum computer.

97 MATHEMATICS AND COMPUTING↗