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

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All sourcesNASA NTRSDOE OSTI
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

Application of Accelerator Technology to Quantum Information Science

The intersection of accelerator and quantum information science (QIS) offers a unique platform to advance both fields through shared technology and infrastructure. This talk will discuss the synergies which exist between these two vastly different but complementary domains. We demonstrate how we leverage pre-existing infrastructure and knowledge to perform research and development which helps to realize dramatic improvements in both 10 km long accelerators and 10 cm large quantum processors. We will explore niobium superconducting radio-frequency (SRF) cavities, a highly advanced technology that excels in efficiently storing electromagnetic energy, enabling ultra-long photon lifetimes critical for quantum processors and facilitating the characterization of quantum materials with parts-per-billion precision. We will also discuss how advancements in superconducting materials, cryogenic systems, and control techniques help to reduce cost and improve performance for both quantum systems and particle accelerators. Moreover, we will discuss cross-disciplinary applications such as dark-matter searches and demonstrate the convergence of these fields in addressing fundamental scientific questions.

Bafia, Daniel [Fermilab]↗
DOE OSTI2022

Report of the Snowmass 2021 Theory Frontier Topical Group on Quantum Information Science

We summarize current and future applications of quantum information science to theoretical high energy physics. Three main themes are identified and discussed; quantum simulation, quantum sensors and formal aspects of the connection between quantum information and gravity. Within these themes, there are important research questions and opportunities to address them in the years and decades ahead. Efforts in developing a diverse quantum workforce are also discussed. This work summarizes the subtopical area Quantum Information for High Energy Physics TF10 which forms part of the Theory Frontier report for the Snowmass 2021 planning process.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Identifying Opportunities at the Interface of Chemistry and Quantum Information Science (Final Technical Report)

This project convened a National Academies committee to identify opportunities and research priorities at the interface of chemistry and quantum information science (QIS). The work culminated in a consensus study report that (1) articulates three fundamental research areas to advance QIS (design and synthesis of molecular qubits; measurement and control of molecular quantum systems; and experimental and computational scaling of qubit design and function), and (2) underscores the importance of cross-disciplinary collaboration, access to facilities and instrumentation, FAIR-aligned data infrastructure, and workforce development initiatives to sustain U.S. leadership in QIS. The report and all other material associated with this project can be downloaded on the project webpage: https://www.nationalacademies.org/projects/DELS-BCST-21-01 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Data-centric machine learning in quantum information science

Abstract We propose a series of data-centric heuristics for improving the performance of machine learning systems when applied to problems in quantum information science. In particular, we consider how systematic engineering of training sets can significantly enhance the accuracy of pre-trained neural networks used for quantum state reconstruction without altering the underlying architecture. We find that it is not always optimal to engineer training sets to exactly match the expected distribution of a target scenario, and instead, performance can be further improved by biasing the training set to be slightly more mixed than the target. This is due to the heterogeneity in the number of free variables required to describe states of different purity, and as a result, overall accuracy of the network improves when training sets of a fixed size focus on states with the least constrained free variables. For further clarity, we also include a ‘toy model’ demonstration of how spurious correlations can inadvertently enter synthetic data sets used for training, how the performance of systems trained with these correlations can degrade dramatically, and how the inclusion of even relatively few counterexamples can effectively remedy such problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Quantum Information Science in High Energy Physics at the Large Hadron Collider (Final Report-QuantISED)

We pursue scientific research at the interface of High Energy Physics and Quantum Information Science. This includes studies of thermal radiation and quantum entanglement in high-energy collisions at the Large Hadron Collider (LHC), with special emphasis on entanglement entropy and the Higgs boson. This project has also been extended to include quantum entanglement and charged current weak interactions using Fermilab results. And most recently, we have begun tests of the temporal entanglement using LHC data. Collider experiments such as proton-proton collisions at the LHC yield hadrons that exhibit an exponential behavior at low transverse momenta. This surprising behavior is seen in data from both the ATLAS and CMS collaborations. We attribute this phenomenon to quantum entanglement between the regions in the nucleon wave function. The exponential component to the transverse momentum distribution is a result of thermal radiation that is akin to Hawking or Unruh radiation that should exist at the event horizon of astrophysical black holes and neutron stars. The Principal Investigator, in collaboration with a theoretical physicist at Stony Brook University and Brookhaven National Laboratory, and with Yale University students, has shown evidence for this thermal radiation in several production and decay processes in the ATLAS and CMS data, and its connection to entanglement entropy (O.K. Baker and D.E Kharzeev, Phys. Rev. D 98, 054007 (2018)), including even the Higgs boson sector. Interestingly, this thermal behavior is also seen in momentum distributions of charged current weak interactions according to our studies. These findings suggest a deep connection between quantum entanglement (entanglement entropy) and thermalization in both hadron collisions at the energy frontier and neutrino scattering at the intensity frontier. We have confirmed the proposed relation between the effective temperature and the hard-scattering scale at lower energies using the most recent LHC data for the following systems: Higgs bosons, top quarks, and charged hadrons. Additionally, we have results for hadron production in neutrino scattering from nuclei using Fermilab weak interaction data. This study is carried out using data from the MINERvA collaboration. In those cases where entanglement is expected, there is an exponential component to the momentum distribution, while this component is absent in those processes where no entanglement is expected. This research thus tests the hypothesis about a link between quantum entanglement and thermalization in strong and weak interactions. See Phys Lett B 811, 135948 (2020). We also initiated research applying a quantum search algorithm (Grover's Algorithm) to LHC data. This quantum algorithm was used to show how rare events in LHC data can be searched for in large, unsorted databases, with quadratic speedup compared to classical search algorithms on classical computers. See "Application of a Quantum Search Algorithm to High- Energy Physics Data at the Large Hadron Collider", arXiv:2010.00649 [quant-ph].

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Designing silicon carbide heterostructures for quantum information science: challenges and opportunities

Abstract Silicon carbide (SiC) can be synthesized in a number of different structural forms known as polytypes with a vast array of optically active point defects of interest for quantum information sciences. The ability to control and vary the polytypes during SiC synthesis may offer a powerful methodology for the formation of new material architectures that expand our ability to manipulate these defects, including extending coherence lifetimes and enhancing room temperature operation. Polytypic control during synthesis presents a significant challenge given the extreme conditions under which SiC is typically grown and the number of factors that can influence polytype selection. In situ monitoring of the synthesis process could significantly expand our ability to formulate novel polytype structures. In this perspective, we outline the state of the art and ongoing challenges for precision synthesis in SiC. We discuss available in situ x-ray characterization methods that will be instrumental in understanding the atomic scale growth of SiC and defect formation mechanisms. We highlight optimistic use cases for SiC heterostructures that will become possible with in situ polytypic control and end by discussing extended opportunities for integration of ultrahigh quality SiC materials with other semiconductor and quantum materials.

Harmon, K. J. (ORCID:0000000164277971)↗
DOE OSTI2024

Hydrogen in energy and information sciences

Beyond its fascinating chemistry as the first element in the Periodic Table, hydrogen is of high societal importance in energy technologies and of growing importance in energy-efficient computing. In energy, hydrogen has reemerged as a potential solution to long-term energy storage and as a carbon-free input for materials manufacturing. Its utilization and production rely on the availability of proton-conducting electrolytes and mixed proton–electron conductors for the components in fuel cells and electrolyzers. In computing, proton mediation of electronic properties has garnered attention for electrochemically controlled energy-efficient neuromorphic computing. Incorporation of substitutional and interstitial hydride ions in oxides, though only recently established, enables tuning of electronic and magnetic properties, inviting a range of possible exotic applications. This article addresses common themes in the fundamental science of hydrogen incorporation and transport in oxides as relevant to pressing technological needs. The content covers (1) lattice (or bulk) mechanisms of hydrogen transport, primarily addressing proton transport, but also touching on hydride ion transport; (2) interfacial transport; (3) exploitation of extreme external drivers to achieve unusual response; and (4) advances in methods to probe the hydrogen environment and transport pathway. The snapshot of research activities in the field of hydrogen-laden materials described here underscores exciting recent breakthroughs, remaining open questions, and breathtaking experimental tools now available for unveiling the nature of hydrogen in solid-state matter.

08 HYDROGEN↗
DOE OSTI2023

Molecules Functionalized with Cycling Centers for Quantum Information Science

The ability for a single molecule to produce enough laser-induced fluorescence to control and detect its quantum state is known as optical cycling. This property has been used to great effect in atoms, where the relatively small number of states promotes their ability to repeatedly fluoresce, for applications such as laser cooling, precision measurement, atomic clocks, and quantum information processing. The extension of this capability to molecular species, however, has been difficult, primarily due to their propensity to become vibrationally excited during illumination. This project brought together experts from atomic physics, physical chemistry, and computational quantum chemistry to develop means to create molecules capable of optical cycling. In particular, this program sought to produce an optical cycling center (OCC), a quantum functional group capable of chemical attachment to a wide variety of molecular hosts while retaining (and thereby furnishing to its host) the ability to optically cycle. Following our team’s theoretical identification of promising species, including alkaline-earth phenoxides, we then created these species and in many cases confirmed their optical cycle closure. We now not only know of the existence of a handful of large, molecular species that can be deployed for applications in quantum technologies and measurement, but have improved our knowledge of the molecular mechanisms leading to this discovery, which will enable generalization in the future. The extension of these ideas for informed chemical design of cycling molecules with bespoke properties is now being pursued by multiple groups.

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

Quantum complexity in gravity, quantum field theory, and quantum information science

Quantum complexity quantifies the difficulty of preparing a state or implementing a unitary transformation with limited resources. Applications range from quantum computation to condensed matter physics and quantum gravity. Here, we seek to bridge the approaches of these fields, which define and study complexity using different frameworks and tools. We describe several definitions of complexity, along with their key properties. In quantum information theory, we focus on complexity growth in random quantum circuits. In quantum many-body systems and quantum field theory (QFT), we discuss a geometric definition of complexity in terms of geodesics on the unitary group. In dynamical systems, we explore a definition of complexity in terms of state or operator spreading, as well as concepts from tensor-networks. We also outline applications to simple quantum systems, quantum many-body models, and QFTs including conformal field theories (CFTs). Finally, we explain the proposed relationship between complexity and gravitational observables within the holographic anti-de Sitter (AdS)/CFT correspondence.

Baiguera, Stefano [Istituto Nazionale di Fisica Nu↗
DOE OSTI2025

Nuclear spin engineering for quantum information science

Semiconductors are the backbone of modern technology, garnering decades of investment in high-quality materials and devices. Electron spin systems in semiconductors, including atomic defects and quantum dots, have been demonstrated in the last two decades to host quantum coherent spin qubits, often with coherent spin–photon interfaces and proximal nuclear spins. These systems are at the center of developing quantum technology. However, new material challenges arise when considering the isotopic composition of host and qubit systems. The isotopic composition governs the nature and concentration of nuclear spins, which naturally occur in leading host materials. These spins generate magnetic noise—detrimental to qubit coherence—but also show promise as local quantum memories and processors, necessitating careful engineering dependent on the targeted application. Reviewing recent experimental and theoretical progress toward understanding local nuclear spin environments in semiconductors, we show this aspect of material engineering as critical to quantum information technology.

Defects↗
DOE OSTI2024

Optical Generation and Manipulation of Spin Qubits for Molecular Quantum Information Science (DE-SC0020199 Final Report)

Final Report containing published results and major accomplishments. Major accomplishments during this grant include elucidating the complex mechanisms of photoinduced ground-state electron spin polarization (PIESP) for these complexes. Several detailed studies relating molecular structure and PIESP are detailed. In addition, we have demonstrated polarization of two coupled ground-state spins with a single photon.

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

Harnessing Quantum Information Science for Enhancing Sensors in Harsh Fossil Energy Environments

The main goals of this project are to utilize real-time quantum dynamics simulations and quantum optimal control algorithms to (1) harness near-surface nitrogen vacancy (NV) centers to detect chemical analytes in harsh fossil energy environments, and (2) design optimally constructed electromagnetic fields for initializing these near-surface NV center spins for efficient sensor performance and detectivity.

20 FOSSIL-FUELED POWER PLANTS↗