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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 OSTI2026

Planar Systems for Quantum Information

This project aims to develop two‐dimensional (2D) moiré materials as a quantum simulator to implement model Hamiltonians and their phase diagrams. Progress in quantum information science (QIS) requires the development of advanced quantum materials systems. The rich family of layered van der Waals materials and their heterostructures present opportunities to create previously unrealized types of applications for QIS. Specifically, when two layers of van der Waals materials are overlaid with a small twist angle or/and lattice mismatch, a moiré superlattice with a period of about ten nanometers is formed. This provides a periodic trapping potential for electrons. Electrons can tunnel between the traps and repel each other by their mutual Coulomb interactions. The platform of 2D moiré materials provides many attractive features, including tunability of length and energy scales, charge density, and even lattice symmetry. It presents new possibilities for realizing quantum simulation of the many-body physics in a solid-state platform. This integrated team of six investigators seeks to develop relevant theoretical treatments to link ab-initio studies of 2D moiré materials to model Hamiltonians and to evaluate correlated phases predicted by these model Hamiltonians in the relevant regimes. On the experimental side, the team aims to develop methods to realize a homogeneous and highly controlled potential landscape for the electrons and to initiate, protect, and measure their quantum many-body states.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Generation of scalable genuine multipartite Gaussian entanglement with a parametric amplifier network

Genuine multipartite entanglement is a valuable resource in quantum information science, as it exhibits inseparability across all possible bipartitions of a multimode quantum state. The large degree of quantum correlations can be exploited in various quantum information protocols, such as teleportation, dense coding, and quantum interferometry. Here, in this study, we propose a scheme to generate scalable genuine multipartite continuous-variable entangled states of light using a parametric amplifier network. We verify the presence of genuine quadripartite, hexapartite, and octapartite entanglement through a violation of the positive partial transpose criteria. Additionally, we use 𝛼-entanglement of formation to demonstrate the scalability of our approach to an arbitrary number of 2⁢𝑁 genuinely entangled parties by taking advantage of the symmetries present in our scheme.

Kim, Saesun [Univ. of Oklahoma, Norman, OK (United↗
DOE OSTI2020

Spin Dynamics of Quintet and Triplet States Resulting from Singlet Fission in Oriented Terrylenediimide and Quaterrylenediimide Films

Singlet fission in organic semiconductors provides an important opportunity to study high-spin states in electronically coupled chromophores. Photoexcitation of oriented, crystalline films of N,N-bis(pentadec-8-yl)terrylene-3,4:11,12-bis(dicarboximide) (TDI) and N,N-bis (pentadec-8-yl)quaterrylene-3,4:13,14-bis(dicarboximide) (QDI) result in the formation of the correlated triplet pair quintet state, 5 (T 1 T 1 ) and its subsequent dissociation into two triplet (T-1) excitons. Time-resolved electron paramagnetic resonance (TREPR) spectroscopy and X-ray crystallography are used to show that the orientation dependence of 5 (T 1 T 1 ) spin dynamics is retained as it dissociates into two T 1 excitons, while such information is lost in a randomly oriented sample. In addition, the spin dynamics depend on how the molecules are oriented relative to the external applied magnetic field. Dissociation of 5 (T 1 T 1 ) to form two T 1 excitons is more efficient in TDI and leads to a longer T-1 lifetime than in QDI, making TDI a more viable candidate for photovoltaic applications. Since QDI readily forms a highly oriented film, and the lifetime of its 5 (T 1 T 1 ) state is longer than that of TDI, it may be a good candidate for quantum information science applications that require the generation of a quantum- entangled, four-spin state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Disentangling the physics of the attractive Hubbard model as a fully interacting model of fermions via the accessible and symmetry-resolved entanglement entropies

The complicated ways in which electrons interact in many-body systems such as molecules and materials have long been viewed through the lens of local electron correlation and associated correlation functions. However, quantum information science has demonstrated that more global diagnostics of quantum states like the entanglement entropy can provide a complementary and clarifying lens on electronic behavior. One particularly useful measure that can be used to distinguish between quantum and classical sources of entanglement is the accessible entanglement, the entanglement available as a quantum resource for systems subject to conservation laws, such as fixed particle number, due to superselection rules. In this work, we introduce an algorithm and demonstrate how to compute accessible and symmetry-resolved entanglements for interacting fermion systems. This is accomplished by combining an incremental version of the swap algorithm with a recursive auxiliary field quantum Monte Carlo algorithm recently developed by the authors. We apply these tools to study the pairing and charge density waves exhibited in the paradigmatic attractive Hubbard model via entanglement. We find that the particle and spin symmetry-resolved entanglements and their related full probability distribution functions show very clear—and unique—signatures of the underlying electronic behavior even when those features are less pronounced in conventional correlation functions. Altogether, this work provides a systematic means of characterizing the entanglement within quantum systems that can grant a deeper understanding of the complicated electronic behavior that underlies quantum phase transitions and crossovers in many-body systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Quantum Machine Learning Applications in High-Energy Physics

Some of the most significant achievements of the modern era of particle physics, such as the discovery of the Higgs boson, have been made possible by the tremendous effort in building and operating large-scale experiments like the Large Hadron Collider or the Tevatron. In these facilities, the ultimate theory to describe matter at the most fundamental level is constantly probed and verified. These experiments often produce large amounts of data that require storing, processing, and analysis techniques that continually push the limits of traditional information processing schemes. Thus, the High-Energy Physics (HEP) field has benefited from advancements in information processing and the development of algorithms and tools for large datasets. More recently, quantum computing applications have been investigated to understand how the community can benefit from the advantages of quantum information science. Nonetheless, to unleash the full potential of quantum computing, there is a need to understand the quantum behavior and, thus, scale up current algorithms beyond what can be simulated in classical processors. In this work, we explore potential applications of quantum machine learning to data analysis tasks in HEP and how to overcome the limitations of algorithms targeted for Noisy Intermediate-Scale Quantum (NISQ) devices.

Delgado, Andrea↗
DOE OSTI2020

Superconducting metamaterials - the first step toward a microwave quantum bus

Coherent manipulation of quantum states is at the core of quantum information science (QIS). Many state-of-the-art quantum systems rely on microwave fields for quantum operations. As such, the microwave electromagnetic fields serve as the ideal "quantum bus" to integrate different types of QIS systems into a hybrid quantum system. Superconducting metamaterials are artificial materials consisting of arrays of superconducting resonant microstructures with sizes much smaller than the microwave wavelengths of interest. Superconducting metamaterials are a strong candidate medium for the microwave quantum bus, because the effective impedance, field distributions, and frequency response can all be controlled by engineering the microstructures, electrical bias, and magnetic flux while maintaining extremely low loss. In this project, we investigate the fundamental unit of a superconducting metamaterial - a resonator with physical dimensions much smaller than the microwave wavelengths - using NbTiN as the working superconductor, whose high operating temperatures and magnetic fields are desirable attributes for compatibility with a wide variety of quantum systems. We first studied the properties of sputtered NbTiN thin films by correlating the film thickness with the normal state resistivity, superconducting transition temperature, and resonances of transmission line resonators made from these films. We developed a process flow and designed a coplanar waveguide platform for studying small resonators. The platform significantly shortens the turnaround times of the resonator fabrication and testing cycles. Several resonators with different designs were fabricated and tested at 4 Kelvin. Resonances were observed in some resonator testers. Potential paths for improvements and future directions are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Practical Introduction to Benchmarking and Characterization of Quantum Computers

Rapid progress in quantum technology has transformed quantum computing and quantum information science from theoretical possibilities into tangible engineering challenges. Breakthroughs in quantum algorithms, quantum simulations, and quantum error correction are bringing useful quantum computation closer to fruition. These remarkable achievements have been facilitated by advances in quantum characterization, verification, and validation (QCVV). QCVV methods and protocols enable scientists and engineers to scrutinize, understand, and enhance the performance of quantum information-processing devices. In this tutorial, we review the fundamental principles underpinning QCVV, and introduce a diverse array of QCVV tools used by quantum researchers. We define and explain QCVV’s core models and concepts—quantum states, measurements, and processes—and illustrate how these building blocks are leveraged to examine a target system or operation. We survey and introduce protocols ranging from simple qubit characterization to advanced benchmarking methods. Along the way, we provide illustrated examples and detailed descriptions of the protocols, highlight the advantages and disadvantages of each, and discuss their potential scalability to future large-scale quantum computers. This tutorial serves as a guidebook for researchers unfamiliar with the benchmarking and characterization of quantum computers, and also as a detailed reference for experienced practitioners.

open quantum systems & decoherence↗
DOE OSTI2021

Variational Quantum Algorithms for Semidefinite Programming

A semidefinite program (SDP) is a particular kind of convex optimization problem with applications in operations research, combinatorial optimization, quantum information science, and beyond. In this work, we propose variational quantum algorithms for approximately solving SDPs. For one class of SDPs, we provide a rigorous analysis of their convergence to approximate locally optimal solutions, under the assumption that they are weakly constrained (i.e., N " M, where N is the dimension of the input matrices and M is the number of constraints). We also provide algorithms for a more general class of SDPs that requires fewer assumptions. Finally, we numerically simulate our quantum algorithms for applications such as MaxCut, and the results of these simulations provide evidence that convergence still occurs in noisy settings.

97 MATHEMATICS AND COMPUTING↗
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 OSTI2022

Snowmass Computational Frontier: Topical Group Report on Quantum Computing

Quantum computing will play a pivotal role in the High Energy Physics (HEP) science program over the early parts of the 21$^{st}$ Century, both as a major expansion of our capabilities across the Computational Frontier, and in synthesis with quantum sensing and quantum networks. This report outlines how Quantum Information Science (QIS) and HEP are deeply intertwined endeavors that benefit enormously from a strong engagement together. Quantum computers do not represent a detour for HEP, rather they are set to become an integral part of our discovery toolkit. Problems ranging from simulating quantum field theories, to fully leveraging the most sensitive sensor suites for new particle searches, and even data analysis will run into limiting bottlenecks if constrained to our current computing paradigms. Easy access to quantum computers is needed to build a deeper understanding of these opportunities. In turn, HEP brings crucial expertise to the national quantum ecosystem in quantum domain knowledge, superconducting technology, cryogenic and fast microelectronics, and massive-scale project management. The role of quantum technologies across the entire economy is expected to grow rapidly over the next decade, so it is important to establish the role of HEP in the efforts surrounding QIS. Fully delivering on the promise of quantum technologies in the HEP science program requires robust support. It is important to both invest in the co-design opportunities afforded by the broader quantum computing ecosystem and leverage HEP strengths with the goal of designing quantum computers tailored to HEP science.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

T 1 Anisotropy Elucidates Spin Relaxation Mechanisms in an S = 1 Cr(IV) Optically Addressable Molecular Qubit

Paramagnetic molecules offer unique advantages for quantum information science owing to their spatial compactness, synthetic tunability, room-temperature quantum coherence, and potential for optical state initialization and readout. However, current optically addressable molecular qubits are hampered by rapid spin–lattice relaxation ( T 1 ) even at sub-liquid nitrogen temperatures. Here, we use temperature- and orientation-dependent pulsed electron paramagnetic resonance (EPR) to elucidate the negative sign of the ground state zero-field splitting (ZFS) and assign T 1 anisotropy to specific types of motion in an optically addressable S = 1 Cr(o-tolyl) 4 molecular qubit. The anisotropy displays a distinct sin 2 (2θ) functional form that is not observed in S = 1/2 Cu(acac) 2 or other Cu(II)/V(IV) microwave addressable molecular qubits. The Cr(o-tolyl) 4 T 1 anisotropy is ascribed to couplings between electron spins and rotational motion in low-energy acoustic or pseudoacoustic phonons. Our findings suggest that rotational degrees of freedom should be suppressed to maximize the coherence temperature of optically addressable qubits.

magnetic properties↗
DOE OSTI2024

Theory of quantum circuits with Abelian symmetries

Quantum circuits with gates (local unitaries) respecting a global symmetry have broad applications in quantum information science and related fields, such as condensed-matter theory and quantum thermodynamics. However, despite their widespread use, fundamental properties of such circuits are not well understood. Recently, it was found that generic unitaries respecting a global symmetry cannot be realized, even approximately, using gates that respect the same symmetry. This observation raises important open questions: What unitary transformations can be realized with k -local gates that respect a global symmetry? In other words, in the presence of a global symmetry, how does the locality of interactions constrain the possible time evolution of a composite system? In this work, we address these questions for the case of Abelian (commutative) symmetries and develop constructive methods for synthesizing circuits with such symmetries. Remarkably, as a corollary, we find that, while the locality of interactions still imposes additional constraints on realizable unitaries, certain restrictions observed in the case of non-Abelian symmetries do not apply to circuits with Abelian symmetries. For instance, in circuits with a general non-Abelian symmetry such as SU ( d ) , the unitary realized in a subspace with one irreducible representation (charge) of the symmetry dictates the realized unitaries in multiple other sectors with inequivalent representations of the symmetry. Furthermore, in certain sectors, rather than all unitaries respecting the symmetry, the realizable unitaries are the symplectic or orthogonal subgroups of this group. We prove that none of these restrictions appears in the case of Abelian symmetries. This result suggests that global non-Abelian symmetries may affect the thermalization of quantum systems in ways not possible under Abelian symmetries. Published by the American Physical Society 2024

Marvian, Iman↗
DOE OSTI2021

Sandia Academic Alliance Program Collaboration Report: 2020-2021 Accomplishments

University partnerships play an essential role in sustaining Sandia’s vitality as a national laboratory. The SAA is an element of Sandia’s broader University Partnerships program, which facilitates recruiting and research collaborations with dozens of universities annually. The SAA program has two three-year goals. SAA aims to realize a step increase in hiring results, by growing the total annual inexperienced hires from each out-of-state SAA university. SAA also strives to establish and sustain strategic research partnerships by establishing several federally sponsored collaborations and multi-institutional consortiums in science & technology (S&T) priorities such as autonomy, advanced computing, hypersonics, quantum information science, and data science. The SAA program facilitates access to talent, ideas, and Research & Development facilities through strong university partnerships. Earlier this year, the SAA program and campus executives hosted John Myers, Sandia’s former Senior Director of Human Resources (HR) and Communications, and senior-level staff at Georgia Tech, U of Illinois, Purdue, UNM, and UT Austin. These campus visits provided an opportunity to share the history of the partnerships from the university leadership, tours of research facilities, and discussions of ongoing technical work and potential recruiting opportunities. These visits also provided valuable feedback to HR management that will help Sandia realize a step increase in hiring from SAA schools. The 2020-2021 Collaboration Report is a compilation of accomplishments in 2020 and 2021 from SAA and Sandia’s valued SAA university partners.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2026

Blueprint for DOE Quantum Supercomputing: Ensuring U.S. Leadership in the Quantum Decade

Quantum computing stands at the threshold of a transformative decade, where the field will evolve from small-scale demonstrations toward practical scientific computing at scale. This Blueprint identifies fault-tolerant quantum computers (FTQCs) as a viable, scalable, and broadly applicable path to achieving “quantum scientific utility,” defined as solving scientifically valuable problems beyond the reach of conventional, classical computers. This capability is expected to show scientific demonstrations in the late 2020s and to mature in the early-to-mid 2030s. This Blueprint outlines a strategy to prepare the U.S. Department of Energy (DOE) for FTQCs and their integration into the U.S. national scientific computing infrastructure. Its purpose is to identify the steps, milestones, and research directions necessary for DOE to enable initial deployment of FTQCs in 2028 as a scientific tool for the nation and mature this capability into the 2030s. DOE has a long history of supporting quantum information science and technology, contributing significantly to research advancements, training a quantum-ready workforce, and providing access to early small-scale quantum hardware. Given recent demonstrations of logical operations on error-corrected logical qubits and the advancement of commercial hardware roadmaps, DOE should begin preparations for large-scale, fault-tolerant quantum computing deployment for DOE science missions. This Blueprint proposes that DOE focus on (1) deploying first-generation scientifically relevant quantum computers with at least 100 logical qubits and performing at least 10,000 to 100,000 hard logical operations in scientifically relevant calculations; (2) developing essential FTQC programming competencies, system software, and facility readiness; and (3) investing in cutting edge focused R&D that fosters breakthroughs in scientific applications, algorithms, and logical architectures needed to accelerate the advent of scientific utility. This effort will position DOE to transition to larger systems: production-scale quantum computers that comprise 1,000 to 10,000 logical qubits, perform 1 to 10 billion hard logical operations, and execute scientifically useful computations at scale. Achieving these goals will require DOE facilities to evolve with urgency to support scientific campaigns that integrate quantum and classical computing resources into efficient workflows, novel software and firmware environments for compiling and routing quantum programs on FTQC machines, and suitable infrastructure for quantum hardware. It will also require further development and optimization of scientific applications from the fields of materials science, quantum chemistry, and high-energy and nuclear physics. The Blueprint calls for transformative R&D and collective action to accelerate the advent of scientific quantum utility and bring it within reach by 2028.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

A Quantum Leap for Dynamic Radiography

Dynamic radiography techniques have been instrumental in advancing the National Nuclear Security Administration's (NNSA) mission since WWII. This paper explores the transformative potential of quantum information science (QIS) to revolutionize dynamic radiography through enhanced image processing, tomographic reconstruction, statistics and uncertainty quantification (UQ), and artificial intelligence integration. By leveraging quantum algorithms to extract previously inaccessible information from existing datasets, this interdisciplinary approach promises unprecedented insights at the intersection of dynamic imaging, artificial intelligence, and quantum information technologies.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Observation of site-controlled localized charged excitons in CrI3/WSe2 heterostructures

Abstract Isolated spins are the focus of intense scientific exploration due to their potential role as qubits for quantum information science. Optical access to single spins, demonstrated in III-V semiconducting quantum dots, has fueled research aimed at realizing quantum networks. More recently, quantum emitters in atomically thin materials such as tungsten diselenide have been demonstrated to host optically addressable single spins by means of electrostatic doping the localized excitons. Electrostatic doping is not the only route to charging localized quantum emitters and another path forward is through band structure engineering using van der Waals heterojunctions. Critical to this second approach is to interface tungsten diselenide with other van der Waals materials with relative band-alignments conducive to the phenomenon of charge transfer. In this work we show that the Type-II band-alignment between tungsten diselenide and chromium triiodide can be exploited to excite localized charged excitons in tungsten diselenide. Leveraging spin-dependent charge transfer in the device, we demonstrate spin selectivity in the preparation of the spin-valley state of localized single holes. Combined with the use of strain-inducing nanopillars to coordinate the spatial location of tungsten diselenide quantum emitters, we uncover the possibility of realizing large-scale deterministic arrays of optically addressable spin-valley holes in a solid state platform.

42 ENGINEERING↗
DOE OSTI2025

Enabling ambient stability and quantum integration of organometallic magnonic ferrimagnets via atomic layer encapsulation

Magnons, the quanta of spin waves in magnetic materials, are promising for hybrid quantum systems by bridging electromagnetic and spin degrees of freedom. The organometallic ferrimagnet vanadium tetracyanoethylene (V[TCNE] x , x ≈ 2) is especially well-suited for quantum magnonics due to its low Gilbert damping and substrate versatility. However, its rapid chemical degradation in ambient conditions hinders practical applications. Incumbent encapsulation methods provide some protection, but are bulky, obscure intrinsic properties of V[TCNE] x , introduce thermal stress at cryogenic temperatures, and complicate microwave device integration. Here, we demonstrate that ultrathin alumina films deposited via low-temperature atomic layer deposition effectively protect V[TCNE] x by preserving its magnetic and magnonic properties following ambient exposure. The sub-100 nm transparent films also enable advanced spectroscopy, magnetometry, and cavity magnonic measurements that reveal the intrinsic properties of V[TCNE] x . This encapsulation strategy advances molecule-based quantum information science by providing a robust route toward scalable, monolithic integration in hybrid quantum technologies.

magnetic materials↗