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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
NASA NTRS2023

Distributed Quantum Processing via Integrated Regional Quantum Networks Using Free-Space Optical Links

The landscape for quantum computing is rapidly evolving with the development of quantum computers and the emergence of future science enabling applications being pursued in many areas, such as distributed quantum computing, hybrid computing scenarios that require cooperatively networked quantum and classical computing assets and more. Quantum networking is also advancing with multiple regional quantum networks and testbeds maturing across the nation. These quantum networking testbeds typically include multiple access points with a heterogeneous mixture of capabilities interconnected by fiber spanning anywhere from tens to hundreds of kilometers; many such networks incorporate a classical networking framework. Alongside these connectivity advancements in the infrastructure, there is quantum sensing device and component technology maturation that is serving to expand the body of quantum networking scenarios that are presently possible and redefining the quantum- enabled future. Bridging the present collective progress in quantum computing and quantum networking will enable the next era of purposeful advancements for national priority use-cases for the benefit of science. One such use-case is enabling future quantum computing applications via integrated regional quantum networking infrastructure in neighboring locations like New York and Maryland, both states are home to robust classical and quantum networking capabilities. To enable near-term distributed quantum computing applications via the practical integration of regional quantum networking infrastructure, free-space optical links via satellite communications will be essential to avoid the exponential loss commonly observed with fiber implementations. There is both an urgent need and a practical justification for pursuing such space-based integration scope now.

Harry Shaw↗
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 OSTI2014

Quantum neural networks: Current status and prospects for development

The idea of quantum artificial neural networks, first formulated in [34], unites the artificial neural network concept with the quantum computation paradigm. Quantum artificial neural networks were first systematically considered in the PhD thesis by T. Menneer (1998). Based on the works of Menneer and Narayanan [42, 43], Kouda, Matsui, and Nishimura [35, 36], Altaisky [2, 68], Zhou [67], and others, quantum-inspired learning algorithms for neural networks were developed, and are now used in various training programs and computer games [29, 30]. The first practically realizable scaled hardware-implemented model of the quantum artificial neural network is obtained by D-Wave Systems, Inc. [33]. It is a quantum Hopfield network implemented on the basis of superconducting quantum interference devices (SQUIDs). In this work we analyze possibilities and underlying principles of an alternative way to implement quantum neural networks on the basis of quantum dots. A possibility of using quantum neural network algorithms in automated control systems, associative memory devices, and in modeling biological and social networks is examined.

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 OSTI2019

Variational quantum state diagonalization

Abstract Variational hybrid quantum-classical algorithms are promising candidates for near-term implementation on quantum computers. In these algorithms, a quantum computer evaluates the cost of a gate sequence (with speedup over classical cost evaluation), and a classical computer uses this information to adjust the parameters of the gate sequence. Here we present such an algorithm for quantum state diagonalization. State diagonalization has applications in condensed matter physics (e.g., entanglement spectroscopy) as well as in machine learning (e.g., principal component analysis). For a quantum state ρ and gate sequence U , our cost function quantifies how far $$U\rho U^\dagger$$ U ρ U † is from being diagonal. We introduce short-depth quantum circuits to quantify our cost. Minimizing this cost returns a gate sequence that approximately diagonalizes ρ . One can then read out approximations of the largest eigenvalues, and the associated eigenvectors, of ρ . As a proof-of-principle, we implement our algorithm on Rigetti’s quantum computer to diagonalize one-qubit states and on a simulator to find the entanglement spectrum of the Heisenberg model ground state.

97 MATHEMATICS AND COMPUTING↗
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 OSTI2018

Using IBM-Q to Study and Visualize the Ground State Properties of the Su-Schrieffer-Heeger Model

Quantum computing takes advantage of quantum mechanical properties such as superposition and entanglement in order to perform calculations that are too intensive for a classical computer. Richard Feynmann came up with the idea of quantum computers in 1982, where it was only theoretically motivated until the creation of Shor’s algorithm. This algorithm involves the factorization of large numbers, which in turn makes it possible to break encryption keys. Quantum computers would be capable of using Shor’s algorithm to crack encryptions at a significantly faster speed than a classical computer, which provided the motivation to start developing quantum computers to run Shor’s algorithm and discover other uses. In the present day, companies such as Google, Microsoft, D-Wave Systems, Rigetti Computing, and IBM are building quantum computers using different techniques and racing to achieve quantum supremacy. The purpose of quantum computing is to perform calculations that are too difficult to be executed on classical computers. But before we are able to use these computers, we must first prove that they are able to use quantum mechanics that will in turn be used to perform the calculations. As a proof of principle we use algorithms that can be done classically and compare those results to that of the quantum computer. In theory, if the quantum computer works for small qubit systems, larger qubit systems can be implemented and run on quantum computers.

97 MATHEMATICS AND COMPUTING↗
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 OSTI2016

Frequency-encoded photonic qubits for scalable quantum information processing

Among the objectives for large-scale quantum computation is the quantum interconnect: a device that uses photons to interface qubits that otherwise could not interact. However, the current approaches require photons indistinguishable in frequency—a major challenge for systems experiencing different local environments or of different physical compositions altogether. Here, we develop an entirely new platform that actually exploits such frequency mismatch for processing quantum information. Labeled “spectral linear optical quantum computation” (spectral LOQC), our protocol offers favorable linear scaling of optical resources and enjoys an unprecedented degree of parallelism, as an arbitrary Ν-qubit quantum gate may be performed in parallel on multiple Ν-qubit sets in the same linear optical device. Here, not only does spectral LOQC offer new potential for optical interconnects, but it also brings the ubiquitous technology of high-speed fiber optics to bear on photonic quantum information, making wavelength-configurable and robust optical quantum systems within reach.

97 MATHEMATICS AND COMPUTING↗
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 OSTI2015

Recent progress of quantum annealing

We review the recent progress of quantum annealing. Quantum annealing was proposed as a method to solve generic optimization problems. Recently a Canadian company has drawn a great deal of attention, as it has commercialized a quantum computer based on quantum annealing. Although the performance of quantum annealing is not sufficiently understood, it is likely that quantum annealing will be a practical method both on a conventional computer and on a quantum computer.

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.↗