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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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303 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Emergence of low-energy spin waves in superconducting electron-doped cuprates

In order to fully utilize the technological potential of unconventional superconductors, an enhanced understanding of the superconducting mechanism is necessary. In the best performing superconductors, the cuprates, superconductivity is intimately linked with magnetism, although the details of this coupling remain elusive. Here, we address this gap by studying the electron-doped cuprate Nd 1.85 Ce 0.15 CuO 4−δ that has an antiferromagnetic ground state when synthesized and only becomes superconducting after a reductive annealing process. Using neutron spectroscopy, we show that the as-grown crystal exhibits a large spin pseudogap in the magnetic fluctuation spectrum. Annealing removes defects introduced by the commonly employed synthesis method and significantly reduces the spin pseudogap. While the spin pseudogap in the annealed sample likely arises from superconductivity, in the as-grown sample it results from the absence of long-wavelength spin waves. These results reveal a direct connection between defects, magnetism, and superconductivity, offering new insight into the mechanisms underlying high-temperature superconductivity and guiding the design of improved superconducting materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Evolution of magnetic bubble domains in the uniaxial ferromaget CeRu 2 Ga 2 B inferred from the Hall effect and ac magnetic susceptibility

We study the Hall effect, AC magnetic susceptibility (χ ac ), and magnetic force microscopy of the uniaxial ferromagnet CeRu 2 Ga 2 B with a centrosymmetric crystal structure. We observe a finite topological Hall effect (THE) within the ordered phase, before the magnetization is polarized by applied field. By comparing the field dependences of the area fraction of the magnetic bubbles, the derivative of χ ac , and the THE signal, we deduce that the magnetic bubbles in CeRu 2 Ga 2 B evolve from the trivial to topological spin texture with field. Our findings enable the expansion of the search for magnetic materials hosting topological spin textures to include uniaxial ferromagnets and open a new possibility to tailor the topological spin texture.

AC magnetic susceptibility↗
DOE OSTI2025

Generalized geometric speed limits for quantum observables

Leveraging quantum information geometry, we derive generalized quantum speed limits on the rate of change of the expectation values of observables. These bounds subsume and, for Hilbert space dimension ≥3, tighten existing bounds—in some cases by an arbitrarily large multiplicative constant. Our theoretical results are supported by illustrative examples and an experimental demonstration using a superconducting qutrit. We also derive two upper bounds on the generalized quantum Fisher information in terms of the condition number of the density matrix. One of these bounds applies only to coherent dynamics and depends also on the variance of the Hamiltonian. The other bound depends also on the so-called Wigner-Yanase skew information. These bounds generalize well-known bounds on the symmetric logarithmic derivative quantum Fisher information and are tighter than the existing bounds for sufficiently mixed states (e.g., for sufficiently high temperature thermal states).

open quantum systems & decoherence↗
DOE OSTI2025

Time-Resolved Stochastic Dynamics of Quantum Thermal Machines

Steady-state quantum thermal machines are typically characterized by a continuous flow of heat between different reservoirs. However, at the level of discrete stochastic realizations, heat flow is unraveled as a series of abrupt quantum jumps, each representing an exchange of finite quanta with the environment. Here, in this work, we present a framework that resolves the dynamics of quantum thermal machines into cycles classified as enginelike, coolinglike, or idle. We analyze the statistics of individual cycle types and their durations, enabling us to determine both the fraction of cycles useful for thermodynamic tasks and the average waiting time between cycles of a given type. Central to our analysis is the notion of intermittency, which captures the operational consistency of the machine by assessing the frequency and distribution of idle cycles. Our framework offers a novel approach to characterizing thermal machines, with significant relevance to experiments involving mesoscopic transport through quantum dots.

full counting statistics↗
DOE OSTI2026

First measurement of polarized spin-density matrix elements and differential cross sections dσ/dt in ω photoproduction off the proton for 2.7 < Eγ < 5.2 GeV using CLAS at Jefferson Lab

We report on the differential cross sections dσ/dt, the unpolarized spin-density matrix elements ρ 00 0 , ρ 1 − 1 0 , Re ρ 10 0 , and the first extraction of the polarized elements Im ρ 10 3 , Im ρ 1 − 1 3 for the reaction γp → pω using the CLAS spectrometer at Jefferson Laboratory. The ω mesons were detected in their dominant charged decay mode, ω → π + π − π 0 , and all t-dependent results are presented in a fine binning for incident photon energies between 2.73 and 5.16 GeV (corresponding to the center-of-mass energy range W ∈ [ 2.45, 3.25 ] GeV). All matrix elements are first measurements for − t > 0.6 GeV2. Moreover, differential cross sections dσ/d(cos Θ c . m . ω ) and the corresponding angle-dependent unpolarized spin-density matrix elements in the Adair frame are presented for the incident photon energy range 1.56–3.80 GeV (corresponding to W ∈ [ 1.95, 2.83 ] GeV). These new ω photoproduction data are consistent with earlier CLAS results but extend the energy range well beyond the nucleon resonance region into the Regge regime. The comparison with Regge-theory-based model predictions shows that the new data impose more stringent constraints on our understanding of ω photoproduction.

Hu, T.↗
DOE OSTI2025

Exact block encoding of imaginary time evolution with universal quantum neural networks

We develop a constructive approach to generate quantum neural networks capable of representing the exact thermal states of all many-body qubit Hamiltonians. The Trotter expansion of the imaginary time propagator is implemented through an exact block encoding by means of a unitary, restricted Boltzmann machine architecture. Marginalization over the hidden-layer neurons (auxiliary qubits) creates the nonunitary action on the visible layer. Then, we introduce a unitary deep Boltzmann machine architecture in which the hidden-layer qubits are allowed to couple laterally to other hidden qubits. We prove that this wave-function is closed under the action of the imaginary time propagator and, more generally, can represent the action of a universal set of quantum gate operations. We provide analytic expressions for the coefficients for both architectures, thus enabling exact network representations of thermal states without stochastic optimization of the network parameters. In the limit of large imaginary time, the yields the ground state of the system. The number of qubits grows linearly with the number of interactions and total imaginary time for a fixed interaction order. Both networks can be readily implemented on quantum hardware via midcircuit measurements of auxiliary qubits. If only one auxiliary qubit is measured and reset, the circuit depth scales linearly with imaginary time and number of interactions, while the width is constant. Alternatively, one can employ a number of auxiliary qubits linearly proportional to the number of interactions, and circuit depth grows linearly with imaginary time only. Every midcircuit measurement has a postselection success probability, and the overall success probability is equal to the product of the probabilities of the midcircuit measurements.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Entanglement Structure of Non-Gaussian States and How to Measure It

Rapidly growing capabilities of quantum simulators to probe quantum many-body phenomena require new methods to characterize increasingly complex states. Here, we present a protocol that constrains quantum states using experimentally measured correlation functions. This method enables measurement of a quantum state’s entanglement structure, opening a new route to study entanglement-related phenomena. Our approach extends Gaussian state parameterizations by systematically incorporating higher-order correlations. We show the protocol’s usefulness in conjunction with current and forthcoming experimental capabilities, focusing on weakly interacting fermions as a proof of concept. Here, the lowest nontrivial expansion quantitatively predicts early time thermalization dynamics, including signaling the onset of quantum chaos indicated by the entanglement Hamiltonian.

Fermi gases↗
DOE OSTI2024

Energy conversion and transport in molecular-scale junctions

Molecular-scale junctions (MSJs) have been considered the ideal testbed for probing physical and chemical processes at the molecular scale. Due to nanometric confinement, charge and energy transport in MSJs are governed by quantum mechanically dictated energy profiles, which can be tuned chemically or physically with atomic precision, offering rich possibilities beyond conventional semiconductor devices. While charge transport in MSJs has been extensively studied over the past two decades, understanding energy conversion and transport in MSJs has only become experimentally attainable in recent years. As demonstrated recently, by tuning the quantum interplay between the electrodes, the molecular core, and the contact interfaces, energy processes can be manipulated to achieve desired functionalities, opening new avenues for molecular electronics, energy harvesting, and sensing applications. This Review provides a comprehensive overview and critical analysis of various forms of energy conversion and transport processes in MSJs and their associated applications. We elaborate on energy-related processes mediated by the interaction between the core molecular structure in MSJs and different external stimuli, such as light, heat, electric field, magnetic field, force, and other environmental cues. Key topics covered include photovoltaics, electroluminescence, thermoelectricity, heat conduction, catalysis, spin-mediated phenomena, and vibrational effects. Furthermore, the review concludes with a discussion of existing challenges and future opportunities, aiming to facilitate in-depth future investigation of promising experimental platforms, molecular design principles, control strategies, and new application scenarios.

Charge transport↗
DOE OSTI2025

Laser activation of single group-IV colour centres in diamond

Abstract Spin-photon interfaces based on group-IV colour centres in diamond offer a promising platform for quantum networks. A key challenge in the field is realising precise single-defect positioning and activation, which is crucial for scalable device fabrication. Here we address this problem by demonstrating a two-step fabrication method for tin vacancy (SnV − ) centres that uses site-controlled ion implantation followed by local femtosecond laser annealing with in-situ spectral monitoring. The ion implantation is performed with sub-50 nm resolution and a dosage that is controlled from hundreds of ions down to single ions per site, limited by Poissonian statistics. Using this approach, we successfully demonstrate site-selective creation and modification of single SnV − centres. Our in-situ spectral monitoring opens a window onto materials tuning at the single defect level, and provides new insight into defect structures and dynamics during the annealing process. While demonstrated for SnV − centres, this versatile approach can be readily generalised to other implanted colour centres in diamond and wide-bandgap materials.

Science & Technology - Other Topics↗
DOE OSTI2025

Tree tensor network hierarchical equations of motion based on time-dependent variational principle for efficient open quantum dynamics in structured thermal environments

In this work, we introduce an efficient method, TTN-HEOM, for exactly calculating the open quantum dynamics for driven quantum systems interacting with highly structured bosonic baths by combining the tree tensor network (TTN) decomposition scheme with the bexcitonic generalization of the numerically exact hierarchical equations of motion (HEOM). The method yields a series of quantum master equations for all core tensors in the TTN that efficiently and accurately capture the open quantum dynamics for non-Markovian environments to all orders in the system–bath interaction. These master equations are constructed based on the time-dependent Dirac–Frenkel variational principle, which isolates the optimal dynamics for the core tensors given the TTN ansatz. The dynamics converges to the HEOM when increasing the rank of the core tensors, a limit in which the TTN ansatz becomes exact. We introduce TENSO, tensor equations for non-Markovian structured open systems, as a general-purpose Python code to propagate the TTN-HEOM dynamics. We implement three general propagators for the coupled master equations: two fixed-rank methods that require a constant memory footprint during the dynamics and one adaptive-rank method with a variable memory footprint controlled by the target level of computational error. We exemplify the utility of these methods by simulating a two-level system coupled to a structured bath containing one Drude–Lorentz component and eight Brownian oscillators, which is beyond what can presently be computed using the standard HEOM. Our results show that the TTN-HEOM is capable of simulating both dephasing and relaxation dynamics of driven quantum systems interacting with structured baths, even those of chemical complexity, with an affordable computational cost.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

The phase diagram of quantum chromodynamics in one dimension on a quantum computer

The quantum chromodynamics (QCD) phase diagram, which reveals the state of strongly interacting matter at different temperatures and densities, is key to answering open questions in physics, ranging from the behaviour of particles in neutron stars to the conditions of the early universe. However, classical simulations of QCD face significant computational barriers, such as the sign problem at finite matter densities. Quantum computing offers a promising solution to overcome these challenges. Here, we take an important step toward exploring the QCD phase diagram with quantum devices by preparing thermal states in one-dimensional non-Abelian gauge theories. We experimentally simulate the thermal states of SU(2) and SU(3) gauge theories at finite densities on a trapped-ion quantum computer using a variational method. This is achieved by introducing two features: Firstly, we add motional ancillae to the existing qubit register to efficiently prepare thermal probability distributions. Secondly, we introduce charge-singlet measurements to enforce colour-neutrality constraints. This work pioneers the quantum simulation of QCD at finite density and temperature for two and three colours, laying the foundation to explore QCD phenomena on quantum platforms.

Quantum information↗
DOE OSTI2026

Trajectory-independent speed limits for controlled open quantum systems

Existing quantum speed limits for controlled open quantum systems depend on the specified trajectory. For example, lower bounds on quantum annealing times in the presence of dissipation depend explicitly on the chosen annealing schedule. Recently, schedule-independent speed limits have been derived for annealing in the closed quantum system setting [L. P. García-Pintos et al ., SciPost Phys. 18 , 159 (2025)]. In this work, we generalize these results to open quantum systems, deriving schedule-independent lower bounds for quantum annealing times in systems described by a Lindblad master equation. We analyze the interplay between coherent control and dissipation in single- and two-qubit examples, demonstrating that the derived lower bounds capture key scaling behavior with respect to the strength of the dissipator. Finally, we apply the bound to thermal state preparation and show that the bound matches the expected asymptotic behavior for an Ising model in the high-temperature limit.

open quantum systems & decoherence↗
DOE OSTI2026

Distributed quantum approximate optimization algorithm on a quantum-centric supercomputing architecture

Quantum approximate optimization algorithm (QAOA) has shown promise in solving combinatorial optimization problems by providing quantum speedup on near-term gate-based quantum computing systems. However, QAOA faces challenges for high-dimensional problems due to the large number of qubits required and the complexity of deep circuits, limiting its scalability for real-world applications. In this study, we present a distributed QAOA (DQAOA), which leverages distributed computing strategies to decompose a large computational workload into smaller tasks that require fewer qubits and shallower circuits than are necessary to solve the original problem. These sub-problems are processed using a combination of high-performance and quantum computing resources. The global solution is iteratively updated by aggregating sub-solutions, allowing convergence toward the optimal solution. We demonstrate that DQAOA can handle considerably large-scale optimization problems (e.g., 1000-bit problem), achieving a high solution quality and short time-to-solution, outperforming existing strategies. Furthermore, we realize DQAOA on a quantum-centric supercomputing architecture, paving the way for practical applications of gate-based quantum computers in real-world optimization tasks. To extend DQAOA’s applicability to materials science, we further develop an active learning algorithm integrated with our DQAOA (AL-DQAOA), which involves machine learning, DQAOA, and active data production in an iterative loop. We successfully optimize photonic structures using AL-DQAOA, indicating that solving real-world optimization problems using gate-based quantum computing is feasible. We expect the proposed DQAOA to be applicable to a wide range of optimization problems and AL-DQAOA to find broader applications in material design.

Kim, Seongmin [ORNL] (ORCID:0000000159063004)↗
DOE OSTI2024

Pressure induced modification of electronic and magnetic properties of MnCrNbAl and MnCrTaAl

Spin-gapless semiconductor (SGS) is a new class of material that has been studied recently for potential applications in spintronics. This material behaves as an insulator for one spin channel, and as a gapless semiconductor for the opposite spin. In this work, we present results of a computational study of two quaternary Heusler alloys, MnCrNbAl and MnCrTaAl that have been recently reported to exhibit spin-gapless semiconducting electronic structure. In particular, using density functional calculations we analyze the effect of external pressure on electronic and magnetic properties of these compounds. It is shown that while these two alloys exhibit nearly SGS behavior at optimal lattice constants and at negative pressure (expansion), they are half-metals at equilibrium, and magnetic semiconductors at larger lattice constant. At the same time, reduction of the unit cell volume has a detrimental effect on electronic properties of these materials, by modifying the exchange splitting of their electronic structure and ultimately destroying their half-metallic/semiconducting behavior. Thus, our results indicate that both MnCrNbAl and MnCrTaAl may be attractive for practical device applications in spin-based electronics, but a potential compression of the unit cell volume (e.g. in thin-film applications) should be avoided.

Materials Science↗
DOE OSTI2015

Crossover from quantum to classical transport

Understanding the crossover from quantum to classical transport phenomena has become of fundamental importance not only for technological applications due to the creation of sub-10nm transistors – an important building block of our modern life – but also for elucidating the role played by quantum mechanics in the evolutionary fitness of biological complexes. This article provides a basic introduction into the nature of charge and energy transport in the quantum and classical regimes. Here, it will identify the characteristic transport properties in both limits, and demonstrate how they can be connected through the loss of quantum mechanical coherence. I will identify the salient features of the crossover physics, and demonstrate their importance in opening new transport regimes and for understanding efficient and robust energy transport in biological complexes.

charge↗
DOE OSTI2026

Multi-purpose quantum laboratories from superconducting circuits

Superconducting circuits (SCs) are the cornerstone of modern quantum technology, enabling scalable computing through coherent control of macroscopic quantum states. Through a legacy that predates modern quantum computing, SCs have emerged as high-precision instruments for discovery. In this review, we highlight the role of SCs as general-purpose quantum laboratories, outlining the emerging landscape of correlated matter-circuit science. We review and unify the capabilities of superconducting quantum hardware across condensed matter, high energy and quantum information sciences. We trace the technical evolution of these architectures, illustrating how their foundational development has culminated in a toolkit for resolving the complexities of macroscopic quantum states.

Arora, Arpit [UCLA, Los Angeles (main); UCLA; Haim↗
DOE OSTI2024

Passive continuous variable quantum key distribution scheme using a thermal source

A passive continuous variable quantum key distribution scheme, where Alice splits the output of a thermal source into two beams, measures one locally and transmits the other mode to Bob after applying attenuation. A secure key can be established based on measurements of the two beams without the use of a random number generator or an optical modulator.

Qi, Bing↗