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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Integrated operation scenarios: Chapter 6 of the special issue: on the path to tokamak burning plasma operation

Here we report the progress of the development and optimization of operational scenarios for ITER and beyond, focusing upon baseline, hybrid, and steady-state scenarios since 2007. This includes advancements made by the integrated operation scenarios (IOS) topical group of the international tokamak physical activity as well as contributions from the broader tokamak community. The key area of research involves developing IOSs that encompass tokamak physics, operation, and technology by utilizing integrated modeling and control strategies. This requires leveraging available actuators to simultaneously control plasma position and shape, MHD activities that could lead to disruptions, transport, plasma-wall interaction and power exhaust, fuel cycle, fusion burn, and tritium breeding. The control extends from the plasma initiation phase, through the current ramp-up, flattop, start and end of the fusion burn, and current ramp-down, to the plasma termination phase. A review of the currently developed scenarios and modeling is provided in terms of (i) optimizing plasma initiation in ITER, (ii) preparing for the low activation phase to fully commission all tokamak systems and establish and validate physics and scenario conditions in preparation for deuterim-tritium (DT) operation, (iii) developing and preparing baseline and hybrid scenarios to demonstrate the feasibility of achieving these regimes within device constraints, (iv) exploring steady-state scenarios to meet ITER’s steady-state goals, (v) evaluating and preparing actuators for ITER, (vi) developing integrated control solutions using shared actuators. The most notable achievements include; (i) the development of ITER demonstration discharges by matching various dimensionless parameters, (ii) the development of scenarios in an ITER-like tungsten environment and DT operation, and (iii) the development of scenarios in superconducting tokamaks, enabling long-pulse operations with similar coil constraints to ITER. Along with these significant achievements, outstanding issues and recommendations for further research and development are provided. Importantly, this study goes beyond simply updating the ITER Physics Basis; it carries profound implications for the broader field of burning plasma research, offering valuable insights and guidance for the next generation of fusion experiments and devices.

ITER↗
DOE OSTI2025

Generic Hilbert space fragmentation in Kogut-Susskind lattice gauge theories

At the heart of quantum many-body physics lies the understanding of mechanisms that avoid quantum thermalization in an isolated system quenched far from equilibrium. A prominent example is Hilbert space fragmentation, which has recently emerged as an ergodicity-breaking mechanism in constrained spin models. Here, we show that Kogut-Susskind formulations of lattice gauge theories in d+1D (d spatial and one temporal dimensions) give rise to Hilbert space fragmentation, and discuss possible implications for understanding continuum physics. Lastly, our findings not only prove that lattice gauge theories are a natural platform for Hilbert space fragmentation, they also serve as a guide to the conditions under which these models can be faithfully used to infer the thermalization properties of quantum chromodynamics.

Eigenstate thermalization↗
DOE OSTI2025

Quantum materials for nanosensing and fault-tolerant quantum computing

New concepts of symmetry related to topological order emerged from the discovery of the fractional quantum Hall effect and high-temperature superconductivity in strongly correlated electron systems. This led to the study of quantum materials-- materials exhibiting emergent quantum phenomena with no classical analogues. While these materials have engendered exciting basic materials science and physics, realizing novel devices is a key challenge in the field. The goal of this proposal is to harness the unique properties of topological materials for quantum computing and quantum sensing applications. In this project, we investigated a variety of topological superconducting platforms and identified three technologies that can benefit from their quantum properties: quantum memory, single-photon detection, and non reciprocal electronics. The platforms developed in this work will be broadly useful to National Security and Basic Science.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Introduction to the Special Issue on Software Tools for Quantum Computing: Part 2

Quantum computing is emerging as a remarkable technology that offers the possibility of achieving major scientific breakthroughs in many areas. By leveraging the unique features of quantum mechanics, quantum computers may be instrumental in advancing many areas, including science, energy, defense, medicine, and finance. This includes solving complex problems whose solution lies well beyond the capacity of contemporary and even future supercomputers that are based on conventional computing technologies. As a foundation for future generations of computing and information processing, quantum computing represents an exciting area for developing new ideas in computer science and computational engineering.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Introduction to the Special Issue on Software Tools for Quantum Computing: Part 1

Quantum computing is emerging as a remarkable technology that offers the possibility of achieving major scientific breakthroughs in many areas. Here, by leveraging the unique features of quantum mechanics, quantum computers may be instrumental in advancing many areas, including science, energy, defense, medicine, and finance. This includes solving complex problems whose solution lies well beyond the capacity of contemporary and even future supercomputers that are based on conventional computing technologies. As a foundation for future generations of computing and information processing, quantum computing represents an exciting area for developing new ideas in computer science and computational engineering.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Revealing multiple classes of stable quantum emitters in hexagonal boron nitride with correlated optical and electron microscopy

Defects in hexagonal boron nitride (hBN) exhibit high-brightness, room-temperature quantum emission, but their large spectral variability and unknown local structure challenge their technological utility. Here, we directly correlate hBN quantum emission with local strain using a combination of photoluminescence (PL), cathodoluminescence (CL) and nanobeam electron diffraction. Across 40 emitters, we observe zero phonon lines (ZPLs) in PL and CL ranging from 540 to 720 nm. CL mapping reveals that multiple defects and distinct defect species located within an optically diffraction-limited region can each contribute to the observed PL spectra. Local strain maps indicate that strain is not required to activate the emitters and is not solely responsible for the observed ZPL spectral range. Instead, at least four distinct defect classes are responsible for the observed emission range, and all four classes are stable upon both optical and electron illumination. Our findings offer a foundation for future atomic-scale optical characterization of colour centres.

36 MATERIALS SCIENCE↗
DOE OSTI2022

High-efficiency microwave-optical quantum transduction based on a cavity electro-optic superconducting system with long coherence time

Abstract Frequency conversion between microwave and optical photons is a key enabling technology to create links between superconducting quantum processors and to realize distributed quantum networks. We propose a microwave-optical transduction platform based on long-coherence time superconducting radio-frequency (SRF) cavities coupled to electro-optic optical cavities to mitigate the loss mechanisms that limit the attainment of high conversion efficiency. We optimize the microwave-optical field overlap and optical coupling losses in the design while achieving long microwave and optical photon lifetime at milli-Kelvin temperatures. This represents a significant enhancement of the transduction efficiency up to 50% under incoming pump power of 140 μW, which allows the conversion of few-photon quantum signals. Furthermore, this scheme exhibits high resolution for optically reading out the dispersive shift induced by a superconducting transmon qubit coupled to the SRF cavity. We also show that low microwave losses enhance the fidelity of heralded entanglement generation between two remote quantum systems. Finally, high precision in quantum sensing can be reached below the standard quantum limit.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Raman Fingerprints of Phase Transitions and Ferroic Couplings in van der Waals Multiferroic CuCrP 2 S 6

CuCrP 2 S 6 (CCPS), a type-II multiferroic material, exhibits unique phase transitions involving ferroelectric, antiferroelectric, and antiferromagnetic ordering. Here, in this study, we conduct a comprehensive investigation on the intricate phase transitions and their multiferroic couplings in CCPS across a wide temperature range from 4 to 345 K through Raman spectroscopic measurements down to 5 cm –1 . We first assign the observed Raman modes with the support of theoretical calculations and angle-resolved polarized Raman measurements. We further present clear signatures of phase transitions from the analyses of temperature-dependent Raman spectral parameters. Particularly, two low-frequency soft modes are observed at 36.1 cm –1 and 70.5 cm –1 below 145 K, indicating the antiferroelectric to quasi-antiferroelectric transition. Moreover, phonon mode hardening is observed when the temperature increases from 4 to 65 K, suggesting negative thermal expansion (NTE) and strong magnetoelastic coupling below 65 K. These findings advance the understanding of vdW multiferroic CCPS, paving the way for future design and engineering of multiferroicity in cutting-edge technologies, such as spintronics and quantum devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
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

High-efficiency second harmonic generation of blue light on thin-film lithium niobate

The strength of interactions between photons in a χ (2) nonlinear optical waveguide increases at shorter wavelengths. These larger interactions enable coherent spectral translation and light generation at a lower power, over a broader bandwidth, and in a smaller device: all of which open the door to new technologies spanning fields from classical to quantum optics. Stronger interactions may also grant access to new regimes of quantum optics to be explored at the few-photon level. One promising platform that could enable these advances is thin-film lithium niobate (TFLN), due to its broad optical transparency window and possibility for quasi-phase matching and dispersion engineering. In this Letter, we demonstrate second harmonic generation of blue light on an integrated thin-film lithium niobate waveguide and observe a conversion efficiency of η 0 = 33, 000%/W- cm 2 , significantly exceeding previous demonstrations.

Park, Taewon↗
DOE OSTI2023

Time-Energy Uncertainty Relation for Noisy Quantum Metrology

Detection of very weak forces and precise measurement of time are two of the many applications of quantum metrology to science and technology. To sense an unknown physical parameter, one prepares an initial state of a probe system, allows the probe to evolve as governed by a Hamiltonian 𝐻 for some time 𝑡, and then measures the probe. If 𝐻 is known, we can estimate 𝑡 by this method; if 𝑡 is known, we can estimate classical parameters on which 𝐻 depends. The accuracy of a quantum sensor can be limited by either intrinsic quantum noise or by noise arising from the interactions of the probe with its environment. In this work, we introduce and study a fundamental trade-off, which relates the amount by which noise reduces the accuracy of a quantum clock to the amount of information about the energy of the clock that leaks to the environment. Specifically, we consider an idealized scenario in which a party Alice prepares an initial pure state of the clock, allows the clock to evolve for a time that is not precisely known, and then transmits the clock through a noisy channel to a party Bob. Meanwhile, the environment (Eve) receives any information about the clock that is lost during transmission. We prove that Bob’s loss of quantum Fisher information about the elapsed time is equal to Eve’s gain of quantum Fisher information about a complementary energy parameter. We also prove a similar, but more general, trade-off that applies when Bob and Eve wish to estimate the values of parameters associated with two noncommuting observables. We derive the necessary and sufficient conditions for the accuracy of the clock to be unaffected by the noise, which form a subset of the Knill-Laflamme error-correction conditions. A state and its local time-evolution direction, if they satisfy these conditions, are said to form a metrological code. We provide a scheme to construct metrological codes in the stabilizer formalism. We show that there are metrological codes that cannot be written as a quantum error-correcting code with similar distance in which the Hamiltonian acts as a logical operator, potentially offering new schemes for constructing states that do not lose any sensitivity upon application of a noisy channel. We discuss applications of the trade-off relation to sensing using a quantum many-body probe subject to erasure or amplitude-damping noise.

metrology↗
DOE OSTI2022

Neural network accelerator for quantum control

Efficient quantum control is necessary for practical quantum computing implementations with current technologies. Conventional algorithms for determining optimal control parameters are computationally expensive, largely excluding them from use outside of the simulation. Existing hardware solutions structured as lookup tables are imprecise and costly. By designing a machine learning model to approximate the results of traditional tools, a more efficient method can be produced. Such a model can then be synthesized into a hardware accelerator for use in quantum systems. In this study, we demonstrate a machine learning algorithm for predicting optimal pulse parameters. This algorithm is lightweight enough to fit on a low-resource FPGA and perform inference with a latency of 175 ns and pipeline interval of 5 ns with > 0.99 gate fidelity. In the long term, such an accelerator could be used near quantum computing hardware where traditional computers cannot operate, enabling quantum control at a reasonable cost at low latencies without incurring large data bandwidths outside of the cryogenic environment.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Flexible and efficient perovskite quantum dot solar cells via hybrid interfacial architecture

All-inorganic CsPbI 3 perovskite quantum dots have received substantial research interest for photovoltaic applications because of higher efficiency compared to solar cells using other quantum dots materials and the various exciting properties that perovskites have to offer. These quantum dot devices also exhibit good mechanical stability amongst various thin-film photovoltaic technologies. We demonstrate higher mechanical endurance of quantum dot films compared to bulk thin film and highlight the importance of further research on high-performance and flexible optoelectronic devices using nanoscale grains as an advantage. Specifically, we develop a hybrid interfacial architecture consisting of CsPbI 3 quantum dot/PCBM heterojunction, enabling an energy cascade for efficient charge transfer and mechanical adhesion. The champion CsPbI3 quantum dot solar cell has an efficiency of 15.1% (stabilized power output of 14.61%), which is among the highest report to date. Building on this strategy, we further demonstrate a highest efficiency of 12.3% in flexible quantum dot photovoltaics.

14 SOLAR ENERGY↗
DOE OSTI2025

Optical design and efficiency measurement of an extreme ultraviolet high-resolution spectrometer for unresolved transition array research

Understanding the structures of the unresolved transition array (UTA) observed in extreme ultraviolet (EUV) spectra from many-electron atoms is crucial for various applications, including fusion science and nanolithography. Here, to measure the fine structure of the UTA from tungsten and tin at around 5 and 13.5 nm at the Tokyo electron beam ion trap, we developed a high-resolution EUV spectrometer. The designed spectrometer achieves a resolving power of λ/dλ > 5000 at 5 and 13.5 nm. The fabricated large-area grating was experimentally examined at beamline BL5B of the UVSOR synchrotron facility to evaluate the diffraction efficiencies and their variation across the ruled area. The measured diffraction efficiencies are 0.65% ± 0.07% at 5 nm (second order) and 7.9% ± 0.2% at 13.5 nm (first order). The variation in the diffraction efficiency across the ruled area is 2.2%, 13.6%, and 10.0% in zeroth, first, and second order diffractions, respectively. The discrepancies in diffraction efficiencies between the experiments and the calculations were 5.2%, 29%, and 35% for the zeroth, first, and second diffraction orders, respectively.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Hund’s flat band in a frustrated spinel oxide

Electronic flat bands associated with quenched kinetic energy and heavy electron mass have attracted great interest for promoting strong electronic correlations and emergent phenomena such as high-temperature charge fractionalization and superconductivity. Intense experimental and theoretical research has been devoted to establishing the rich nontrivial metallic and heavy fermion phases intertwined with such localized electronic states. Here, in this study, we investigate the transition metal oxide spinel LiV 2 O 4 , an enigmatic heavy fermion compound lacking localized f orbital states. We use angle-resolved photoemission spectroscopy and dynamical mean-field theory to reveal a kind of correlation-induced flat band with suppressed interatomic electron hopping arising from intra-atomic Hund’s coupling. The appearance of heavy quasiparticles is ascribed to a proximate orbital-selective Mott state characterized by fluctuating local moments as evidenced by complementary magnetotransport measurements. The spectroscopic fingerprints of long-lived quasiparticles and their disappearance with increasing temperature further support the emergence of a high-temperature “bad” metal state observed in transport data. This work resolves a long-standing puzzle on the origin of heavy fermion behavior and unconventional transport in LiV 2 O 4 . Simultaneously, it opens a path to achieving flat bands through electronic interactions in d-orbital systems with geometrical frustration, potentially enabling the realization of exotic phases of matter such as the fractionalized Fermi liquids.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Preparing Precollege Students for the Second Quantum Revolution with Core Concepts in Quantum Information Science

After the passage of the U.S. National Quantum Initiative Act in December 2018, the National Science Foundation (NSF) and the Office of Science and Technology Policy (OSTP) recently assembled an interagency working group and conducted a workshop titled “Key Concepts for Future Quantum Information Science Learners” that focused on identifying core concepts for future curricular and educator activities to help precollege students engage with quantum information science (QIS). Helping precollege students learn these key concepts in QIS is an effective approach to introducing them to the second quantum revolution and inspiring them to become future contributors in the growing field of quantum information science and technology as leaders in areas related to quantum computing, communication, and sensing. This paper is a call to precollege educators to contemplate including QIS concepts into their existing courses at appropriate levels and get involved in the development of curricular materials suitable for their students. Also, research shows that compare-and-contrast activities can provide an effective approach to helping students learn. Therefore, we illustrate a pedagogical approach that contrasts the classical and quantum concepts so that educators can adapt them for their students in their lesson plans to help them learn the differences between key concepts in quantum and classical contexts.

Education & Educational Research↗
DOE OSTI2025

Towards large-scale quantum optimization solvers with few qubits

Quantum computers hold the promise of more efficient combinatorial optimization solvers, which could be game-changing for a broad range of applications. However, a bottleneck for materializing such advantages is that, in order to challenge classical algorithms in practice, mainstream approaches require a number of qubits prohibitively large for near-term hardware. Here we introduce a variational solver for MaxCut problems over $m={{\mathcal{O}}}({n}^{k})$ binary variables using only n qubits, with tunable k > 1. The number of parameters and circuit depth display mild linear and sublinear scalings in m , respectively. Moreover, we analytically prove that the specific qubit-efficient encoding brings in a super-polynomial mitigation of barren plateaus as a built-in feature. Altogether, this leads to high quantum-solver performances. For instance, for m = 7000, numerical simulations produce solutions competitive in quality with state-of-the-art classical solvers. In turn, for m = 2000, experiments with n = 17 trapped-ion qubits feature MaxCut approximation ratios estimated to be beyond the hardness threshold 0.941. Our findings offer an interesting heuristics for quantum-inspired solvers as well as a promising route towards solving commercially-relevant problems on near-term quantum devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Quantum Approximate Optimization Algorithm on Different Qubit Systems

Solving optimization problems is critical across many research domains, but the high dimensionality of parameter spaces often poses significant challenges. The Quantum Approximate Optimization Algorithm (QAOA) has emerged as a promising approach for accelerating optimization in the Noisy Intermediate-Scale Quantum (NISQ) era by leveraging both classical and quantum computational resources. However, its performance can vary depending on the underlying quantum hardware architecture. In this work, we evaluate the performance of QAOA on different quantum hardware platforms, specifically, superconducting transmon qubits and trapped-ion qubits, targetting real-world optimization problems formulated as fully connected Quadratic Unconstrained Binary Optimization (QUBO) instances. We evaluate both the solution quality and time-to-solution using dense QUBO matrices. Furthermore, we show that large-scale problems, such as a 100-bit QUBO instance, can be effectively tackled by integrating quantum computing with high-performance computing (HPC) resources. This study provides practical insights into the strengths and limitations of different qubit technologies and advances the application of quantum computing in solving real-world optimization problems.

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