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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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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Comparative study of adaptive variational quantum eigensolvers for multi-orbital impurity models

Hybrid quantum-classical embedding methods for correlated materials simulations provide a path towards potential quantum advantage. However, the required quantum resources arising from the multi-band nature of d and f electron materials remain largely unexplored. Here we compare the performance of different variational quantum eigensolvers in ground state preparation for interacting multi-orbital embedding impurity models, which is the computationally most demanding step in quantum embedding theories. Focusing on adaptive algorithms and models with 8 spin-orbitals, we show that state preparation with fidelities better than 99.9% can be achieved using about 2 14 shots per measurement circuit. When including gate noise, we observe that parameter optimizations can still be performed if the two-qubit gate error lies below 10 -3 , which is slightly smaller than current hardware levels. Finally, we measure the ground state energy on IBM and Quantinuum hardware using a converged adaptive ansatz and obtain a relative error of 0.7%.

42 ENGINEERING↗
DOE OSTI2025

High-burnup boiling water reactor steady-state operating conditions and fuel performance analysis

The primary operational costs for existing nuclear reactors are plant operation costs, maintenance costs, and fuel costs, all of which are influenced by the materials used and the design of the reactor core. Optimizing core design parameters—including burnup limits and enrichment levels—can lengthen cycles, reduce outages, reduce reload batch fractions and spent fuel storage requirements, and lower maintenance and operating expenses, thereby enhancing economic viability. Furthermore, developing higher-fidelity tools to simulate these parameters enables better identification of the available margin, improves overall plant safety, and improves the understanding a given plant’s responses to accident scenarios. Here, in the US, much of the research and development focus has traditionally been on pressurized water reactors (PWRs), but boiling water reactors (BWRs) comprise approximately one-third of the US reactor fleet. Modeling and simulation advances for BWRs and PWRs—particularly those achieved through the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program—are crucial to the long-term viability of the light–water reactor industry. A key research area of the high burnup and increased enriched fuel initiative is focused on addressing issues related to postulated loss-of-coolant accident (LOCA) scenarios. NEAMS has dedicated significant effort to enhancing tools to better support BWRs. A current focus is showcasing the BWR framework for high-burnup LOCA analysis. This high-fidelity steady-state analysis is a first step toward demonstrating a best-estimate, pin-by-pin high-burnup BWR LOCA analysis to assess full-core cladding rupture behavior for a representative BWR. The objective of this effort is to provide a modeling capability that will help elucidate and provide a best-estimate evaluation for cladding rupture susceptibility in BWRs. This modeling capability could then be used to prevent and/or mitigate cladding ruptures in postulated accident scenarios without penalizing operational parameters. Additionally, the results of this work will help identify strategies for finding additional margins or potentially limiting cladding ruptures through core design optimizations to enable more efficient core designs.

Capps, Nathan [Oak Ridge National Laboratory (ORNL↗
DOE OSTI2023

Detecting Spin-Bath Polarization with Quantum Quench Phase Shifts of Single Spins in Diamond

Single-qubit sensing protocols can be used to measure qubit-bath coupling parameters. However, for sufficiently large coupling, the sensing protocol itself perturbs the bath, which is predicted to result in a characteristic response in the sensing measurements. Here, we observe this bath perturbation, also known as a quantum quench, by preparing the nuclear spin bath of a nitrogen-vacancy (NV) center in polarized initial states and performing phase-resolved spin-echo measurements on the NV electron spin. These measurements reveal a time-dependent phase determined by the initial state of the bath. We derive the relationship between the sensor phase and the Gaussian spin-bath polarization and apply it to reconstruct both the axial and transverse polarization components. Using this insight, we optimize the transfer efficiency of our dynamic nuclear polarization sequence. This technique for directly measuring bath polarization may assist in preparing high-fidelity quantum memory states, improving nanoscale NMR methods, and investigating non-Gaussian quantum baths.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Personalized and uncertainty-aware coronary hemodynamics simulations: From Bayesian estimation to improved multi-fidelity uncertainty quantification

Non-invasive simulations of coronary hemodynamics have improved clinical risk stratification and treatment outcomes for coronary artery disease, compared to relying on anatomical imaging alone. However, simulations typically use empirical approaches to distribute total coronary flow amongst the arteries in the coronary tree, which ignores patient variability, the presence of disease, and other clinical factors. Further, uncertainty in the clinical data often remains unaccounted for in the modeling pipeline. We present an end-to-end uncertainty-aware pipeline to (1) personalize coronary flow simulations by incorporating vessel-specific coronary flows as well as cardiac function; and (2) predict clinical and biomechanical quantities of interest with improved precision, while accounting for uncertainty in the clinical data. We assimilate patient-specific measurements of myocardial blood flow from clinical CT myocardial perfusion imaging to estimate branch-specific coronary artery flows. Simulated noise in the clinical data is used to estimate the joint posterior distributions of the model parameters using adaptive Markov Chain Monte Carlo sampling. Additionally, the posterior predictive distribution for the relevant quantities of interest is determined using a new approach combining multi-fidelity Monte Carlo estimation with non-linear, data-driven dimensionality reduction. This leads to improved correlations between high- and low-fidelity model outputs. Our framework accurately recapitulates clinically measured cardiac function as well as branch-specific coronary flows under measurement noise uncertainty. We observe substantial reductions in confidence intervals for estimated quantities of interest compared to single-fidelity Monte Carlo estimation and state-of-the-art multi-fidelity Monte Carlo methods. This holds especially true for quantities of interest that showed limited correlation between the low- and high-fidelity model predictions. In addition, the proposed multi-fidelity Monte Carlo estimators are significantly cheaper to compute than traditional estimators, under a specified confidence level or variance. The proposed pipeline for personalized and uncertainty-aware predictions of coronary hemodynamics is based on routine clinical measurements and recently developed techniques for CT myocardial perfusion imaging. The proposed pipeline offers significant improvements in precision and reduction in computational cost.

Bayesian parameter estimation↗
DOE OSTI2023

Dancing the Quantum Waltz: Compiling Three-Qubit Gates on Four Level Architectures

Superconducting quantum devices are a leading technology for quantum computation, but they face several challenges. Gate errors, coherence errors and a lack of connectivity all contribute to low fidelity results. In particular, connectivity restrictions enforce a gate set that requires three-qubit gates to be decomposed into one- or two-qubit gates. This substantially increases the number of two-qubit gates that need to be executed. However, many quantum devices have access to higher energy levels. We can expand the qubit abstraction of |0〉 and |1〉 to a ququart which has access to the |2〉 and |3〉 state, but with shorter coherence times. This allows for two qubits to be encoded in one ququart, enabling increased virtual connectivity between physical units from two adjacent qubits to four fully connected qubits. This connectivity scheme allows us to more efficiently execute three-qubit gates natively between two physical devices.We present direct-to-pulse implementations of several three-qubit gates, synthesized via optimal control, for compilation of three-qubit gates onto a superconducting-based architecture with access to four-level devices with the first experimental demonstration of four-level ququart gates designed through optimal control. We demonstrate strategies that temporarily use higher level states to perform Toffoli gates and always use higher level states to improve fidelities for quantum circuits. We find that these methods improve expected fidelities with increases of 2x across circuit sizes using intermediate encoding, and increases of 3x for fully-encoded ququart compilation.

Litteken, Andrew↗
DOE OSTI2026

Exact Fock-State Preparation with $n^{1/4}$ Circuit Depth

Efficient, deterministic, and high-fidelity preparation of large Fock states is essential for scaling bosonic quantum technologies and exploring quantum phenomena at large excitation energies. We introduce a deterministic one-parameter (D1p) protocol that maps Fock-state preparation in an infinite-dimensional Hilbert space onto two-dimensional amplitude amplification. Starting from a coherent state with $|α|\simeq\sqrt{n}$, the initial target-state population scales as $n^{-1/2}$, yielding an iteration count and circuit depth of $\mathcal{O}(n^{1/4})$. Phase matching guarantees unit fidelity in the ideal model; remarkably, preparing $|{10^6}\rangle$ requires only 39 iterations. The protocol uses only displacements and number-selective phase operations, requires no numerical optimization, and further extends to state transfer, general superpositions, finite-dimensional systems, and multipartite entangled states. In the large-amplitude regime, its multi-target form prepares $L$-legged cat states with an iteration count determined only by $L$; cats with up to ten legs require only two iterations, independent of the coherent-state amplitude. This framework provides a broadly applicable route to highly excited bosonic states on platforms supporting these elementary controls.

Roy, Tanay [Fermilab] (ORCID:000000019442862X)↗
DOE OSTI2022

High-Fidelity Solar Irradiance Data: Simple Access to State-of-the-Art Information Accelerates Southeast Asia's Clean Energy Economic Transformation

High quality, robust, and reliable renewable energy resource data is foundational to climate-smart decision making, evidence-based policy planning, and clean energy investment mobilization. USAID and NREL, through the Advanced Energy Partnership for Asia, are expanding access to this critical resource data by providing free, high-fidelity solar resource data for Southeast Asia through the RE Data Explorer platform. This brief highlights several ways the Southeast Asia solar resource data has been used for power system planning and project development in the region.

Advanced Energy Partnership for Asia↗
DOE OSTI2025

Mitigation of birefringence in cavity-based quantum networks using frequency-encoded photons

Atom-cavity systems offer unique advantages for building large-scale distributed quantum computers by providing strong atom-photon coupling while allowing for high-fidelity local operations of atomic qubits. However, in prevalent schemes where the photonic state is encoded in polarization, cavity birefringence introduces an energy splitting of the cavity eigenmodes and alters the polarization states, thus limiting the fidelity of remote entanglement generation. To address this challenge, we propose a scheme that encodes the photonic qubit in the frequency degree-of-freedom. The scheme relies on resonant coupling of multiple transverse cavity modes to different atomic transitions that are well-separated in frequency. We numerically investigate the temporal properties of the photonic wavepacket, two-photon interference visibility, and atom-atom entanglement fidelity under various cavity polarization-mode splittings and find that our scheme is less affected by cavity birefringence. Finally, we propose practical implementations in two trapped ion systems, using the fine structure splitting in the metastable D state of 40 Ca + , and the hyperfine splitting in the ground state of 225 Ra + . Furthermore, our study presents an alternative approach for cavity-based quantum networks that is less sensitive to birefringent effects, and is applicable to a variety of atomic and solid-state emitter-cavity interfaces.

Cavity quantum electrodynamics↗
DOE OSTI2022

Scattering strings off quantum extremal surfaces

We consider a Hayden & Preskill like setup for both maximally chaotic and sub-maximally chaotic quantum field theories. We act on the vacuum with an operator in a Rindler like wedge R and transfer a small subregion I of R to the other wedge. The chaotic scrambling dynamics of the QFT Rindler time evolution reveals the information in the other wedge. The holographic dual of this process involves a particle excitation falling into the bulk and crossing into the entanglement wedge of the complement to r = R\I. With the goal of studying the locality of the emergent holographic theory we compute various quantum information measures on the boundary that tell us when the particle has entered this entanglement wedge. In a maximally chaotic theory, these measures indicate a sharp transition where the particle enters the wedge exactly when the insertion is null separated from the quantum extremal surface for r. For sub-maximally chaotic theories, we find a smoothed crossover at a delayed time given in terms of the smaller Lyapunov exponent and dependent on the time-smearing scale of the probe excitation. The information quantities that we consider include the full vacuum modular energy R\I as well as the fidelity between the state with the particle and the state without. Along the way, we find a new explicit formula for the modular Hamiltonian of two intervals in an arbitrary 1+1 dimensional CFT to leading order in the small cross ratio limit. We also give an explicit calculation of the Regge limit of the modular flowed chaos correlator and find examples which do not saturate the modular chaos bound. Finally, we discuss the extent to which our results reveal properties of the target of the probe excitation as a “stringy quantum extremal surface” or simply quantify the probe itself thus giving a new approach to studying the notion of longitudinal string spreading.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

A Bayesian analysis of classical shadows

Abstract The method of classical shadows proposed by Huang, Kueng, and Preskill heralds remarkable opportunities for quantum estimation with limited measurements. Yet its relationship to established quantum tomographic approaches, particularly those based on likelihood models, remains unclear. In this article, we investigate classical shadows through the lens of Bayesian mean estimation (BME). In direct tests on numerical data, BME is found to attain significantly lower error on average, but classical shadows prove remarkably more accurate in specific situations—such as high-fidelity ground truth states—which are improbable in a fully uniform Hilbert space. We then introduce an observable-oriented pseudo-likelihood that successfully emulates the dimension-independence and state-specific optimality of classical shadows, but within a Bayesian framework that ensures only physical states. Our research reveals how classical shadows effect important departures from conventional thinking in quantum state estimation, as well as the utility of Bayesian methods for uncovering and formalizing statistical assumptions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Self-testing of a single quantum system from theory to experiment

Abstract Self-testing allows one to characterise quantum systems under minimal assumptions. However, existing schemes rely on quantum nonlocality and cannot be applied to systems that are not entangled. Here, we introduce a robust method that achieves self-testing of individual systems by taking advantage of contextuality. The scheme is based on the simplest contextuality witness for the simplest contextual quantum system—the Klyachko-Can-Binicioğlu-Shumovsky inequality for the qutrit. We establish a lower bound on the fidelity of the state and the measurements as a function of the value of the witness under a pragmatic assumption on the measurements. We apply the method in an experiment on a single trapped 40 Ca + using randomly chosen measurements and perfect detection efficiency. Using the observed statistics, we obtain an experimental demonstration of self-testing of a single quantum system.

Physics↗
DOE OSTI2020

Certified quantum measurement of Majorana fermions

Here, we propose a quantum self-testing protocol to certify measurements of fermion parity involving Majorana fermion modes. We further show that observing a set of ideal measurement statistics implies anticommutativity of the implemented Majorana fermion parity operators, a necessary prerequisite for Majorana detection. Our protocol is robust to experimental errors. We obtain lower bounds on the fidelities of the state and measurement operators that are linear in the errors. We propose to analyze experimental outcomes in terms of a contextuality witness W , which satisfies 〈 W 〉 ≤ 3 for any classical probabilistic model of the data. A violation of the inequality witnesses quantum contextuality, and the closeness to the maximum ideal value 〈 W 〉 = 5 indicates the degree of confidence in the detection of Majorana fermions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Foundry-fabricated silicon source of broadband polarization entanglement

We present a CMOS-fabricated photonic integrated circuit tailored to the generation of ultrabroadband polarization-entangled photons. This fully on-chip source leverages a novel design combining polarization splitter-rotators and a bidirectionally pumped microring resonator to produce high-fidelity polarization Bell states over 115 frequency-bin pairs spaced 38.4 GHz apart.

Miloshevsky, Alex↗
DOE OSTI2024

Circuit QED Pulse Control Interface

The Circuit Quantum Electrodynamics (Circuit QED) Pulse Control Interface provides a robust platform for designing and testing control signals in transmon-cavity systems. Utilizing a PyQt5-based drag-and-drop GUI, this tool facilitates the implementation of two key protocols: Selective Number-dependent Arbitrary Phase (SNAP)-Displacement and Echoed Conditional Displacement (ECD). It offers real-time pulse visualization and supports CSV exports and imports for integrating custom signals, thereby enhancing circuit QED experimental workflows. Simulations performed using QuTiP confirm the high fidelity of quantum state preparations and the effectiveness of the implemented controls. Future developments will focus on interfacing the tool with hardware and enhancing signal generation accuracy.

Lin, Yuqing↗
DOE OSTI2022

Observability of fidelity decay at the Lyapunov rate in few-qubit quantum simulations

In certain regimes, the fidelity of quantum states will decay at a rate set by the classical Lyapunov exponent. This serves both as one of the most important examples of the quantum-classical correspondence principle and as an accurate test for the presence of chaos. While detecting this phenomenon is one of the first useful calculations that noisy quantum computers without error correction can perform, a thorough study of the quantum sawtooth map reveals that observing the Lyapunov regime is just beyond the reach of present-day devices. We prove that there are three bounds on the ability of any device to observe the Lyapunov regime and give the first quantitatively accurate description of these bounds: (1) the Fermi golden rule decay rate must be larger than the Lyapunov rate, (2) the quantum dynamics must be diffusive rather than localized, and (3) the initial decay rate must be slow enough for Lyapunov decay to be observable. This last bound, which has not been recognized previously, places a limit on the maximum amount of noise that can be tolerated. The theory implies that an absolute minimum of 6 qubits is required. Recent experiments on IBM-Q and IonQ imply that some combination of a noise reduction by up to 100x per gate and large increases in connectivity and gate parallelization are also necessary. Finally, scaling arguments are given that quantify the ability of future devices to observe the Lyapunov regime based on trade-offs between hardware architecture and performance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Quantum Entanglement between Optical and Microwave Photonic Qubits

Entanglement is an extraordinary feature of quantum mechanics. Sources of entangled optical photons were essential to test the foundations of quantum physics through violations of Bell’s inequalities. More recently, entangled many-body states have been realized via strong nonlinear interactions in microwave circuits with superconducting qubits. Here, we demonstrate a chip-scale source of entangled optical and microwave photonic qubits. Our device platform integrates a piezo-optomechanical transducer with a superconducting resonator which is robust under optical illumination. We drive a photon-pair generation process and employ a dual-rail encoding intrinsic to our system to prepare entangled states of microwave and optical photons. We place a lower bound on the fidelity of the entangled state by measuring microwave and optical photons in two orthogonal bases. This entanglement source can directly interface telecom wavelength time-bin qubits and gigahertz frequency superconducting qubits, two well-established platforms for quantum communication and computation, respectively. Published by the American Physical Society 2024

Physics↗
DOE OSTI2022

Long-lived Bell states in an array of optical clock qubits

The generation of long-lived entanglement in optical atomic clocks is one of the main goals of quantum metrology. Arrays of neutral atoms, where Rydberg-based interactions may generate entanglement between individually controlled and resolved atoms, constitute a promising quantum platform to achieve this. Here we leverage the programmable state preparation afforded by optical tweezers and the efficient strong confinement of a three-dimensional optical lattice to prepare an ensemble of strontium-atom pairs in their motional ground state. We engineer global single-qubit gates on the optical clock transition and two-qubit entangling gates via adiabatic Rydberg dressing, enabling the generation of Bell states with a state-preparation-and-measurement-corrected fidelity of 92.8(2.0)% (87.1(1.6)% without state-preparation-and-measurement correction). For use in quantum metrology, it is furthermore critical that the resulting entanglement be long lived; we find that the coherence of the Bell state has a lifetime of 4.2(6) s via parity correlations and simultaneous comparisons between entangled and unentangled ensembles. Such long-lived Bell states can be useful for enhancing metrological stability and bandwidth. In the future, atomic rearrangement will enable the implementation of many-qubit gates and cluster state generation, as well as explorations of the transverse field Ising model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Universal control of a six-qubit quantum processor in silicon

Future quantum computers capable of solving relevant problems will require a large number of qubits that can be operated reliably. However, the requirements of having a large qubit count and operating with high fidelity are typically conflicting. Spins in semiconductor quantum dots show long-term promise but demonstrations so far use between one and four qubits and typically optimize the fidelity of either single- or two-qubit operations, or initialization and readout. Here, we increase the number of qubits and simultaneously achieve respectable fidelities for universal operation, state preparation and measurement. We design, fabricate and operate a six-qubit processor with a focus on careful Hamiltonian engineering, on a high level of abstraction to program the quantum circuits, and on efficient background calibration, all of which are essential to achieve high fidelities on this extended system. State preparation combines initialization by measurement and real-time feedback with quantum-non-demolition measurements. These advances will enable testing of increasingly meaningful quantum protocols and constitute a major stepping stone towards large-scale quantum computers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗