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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Quantum Solver of Contracted Eigenvalue Equations for Scalable Molecular Simulations on Quantum Computing Devices

The accurate computation of ground and excited states of many-fermion quantum systems is one of the most consequential, contemporary challenges in the physical and computational sciences whose solution stands to benefit significantly from the advent of quantum computing devices. Existing methodologies using phase estimation or variational algorithms have potential drawbacks such as deep circuits requiring substantial error correction or non-trivial high-dimensional classical optimization. In this work, we introduce a quantum solver of contracted eigenvalue equations, the quantum analogue of classical methods for the energies and reduced density matrices of ground and excited states. The solver does not require deep circuits or difficult classical optimization and achieves an exponential speed-up over its classical counterpart. We demonstrate the algorithm though computations on both a quantum simulator and two IBM quantum processing units.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Native Two-Qubit Gates in Fixed-Coupling, Fixed-Frequency Transmons Beyond Cross-Resonance Interaction

Fixed-frequency superconducting qubits demonstrate remarkable success as platforms for stable and scalable quantum computing. Cross-resonance gates have been the workhorse of fixed-coupling, fixed-frequency superconducting processors, leveraging the entanglement generated by driving one qubit resonantly with a neighbor’s frequency to achieve high-fidelity, universal controlled- () gates. Here, we use on-resonant and off-resonant microwave drives to go beyond cross-resonance, realizing natively interesting two-qubit gates that are not equivalent to gates. In particular, we implement and benchmark native i , , i SWAP , and b gates; in fact, any SU ( 4 ) unitary can be achieved using these techniques. Furthermore, we apply these techniques for an efficient construction of the B gate: a perfect entangler from which any two-qubit gate can be reached in only two applications. We show that these native two-qubit gates are better than their counterparts compiled from cross-resonance gates. We elucidate the resonance conditions required to drive each two-qubit gate and provide a novel frame tracking technique to implement them in Qiskit. Published by the American Physical Society 2024

Physics↗
DOE OSTI2020

Computationally Efficient Decompositions of Oblique Projection Matrices

Oblique projection matrices arise in problems in weighted least squares, signal processing, and optimization. While these matrices can be potentially very large, their low-rank structure can be exploited for efficient computation. Here, we propose fast and scalable algorithms for computing their eigendecomposition and singular value decomposition (SVD). Numerical experiments that compare our proposed approaches to existing methods, including randomized SVD, are presented. In addition, we test their accuracy on linear systems from equality constrained optimization problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Materials challenges for quantum technologies based on color centers in diamond

Emerging quantum technologies require precise control over quantum systems of increasing complexity. Defects in diamond, particularly the negatively charged nitrogen-vacancy center, are a promising platform with the potential to enable technologies ranging from ultra-sensitive nanoscale quantum sensors, to quantum repeaters for long distance quantum networks, to simulators of complex dynamical processes in many-body quantum systems, to scalable quantum computers. While these advances are due in large part to the distinct material properties of diamond, the uniqueness of this material also presents difficulties, and there is a growing need for novel materials science techniques for characterization, growth, defect control, and fabrication dedicated to realizing quantum applications with diamond. In this article we identify and discuss the major materials science challenges and opportunities associated with diamond quantum technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Exchange interactions of paramagnetic spins on α-Al 2 O 3

Superconducting qubits (SQs) represent a promising route to achieving a scalable quantum computer. However, the coupling between SQs and (as yet largely unidentified) parasitic noise sources has so far limited the functionality of current SQs by reducing the coherence time of the quantum states below a practical threshold for measurement and manipulation. These noise sources also more generally limit the performance of a variety of devices based on superconducting circuits, including high energy-resolution cryogenic radiation detectors, sensitive magnetic detectors (superconducting quantum interference devices, or SQUIDs), nanomechanical motion sensors and quantum-limited parametric amplifiers. In this paper, we study the origins of spin interactions on a substrate using OH on sapphire as a model system. We show how the substrate can mediate spin-spin interactions generally favoring FM interactions, but that strain can modify the interaction. Surface and sub-surface defects between the spin defects may also enhance the exchange interactions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Parallel-in-Time Simulation of Lindblad's Equation

Constructing fast quantum logic gates is critical to building a scalable quantum computer. We consider a qudit, a quantum version of a bit that can take an arbitrary number of states, coupled with a cavity. In this project, we wish to force the qudit to reach the 0-state, for any possible initial state. The coupled system changes in time according to Lindblad’s equation, an ordinary differential equation on the density matrix of the quantum system. Lindblad’s equation contains some parameters that we can control, so-called control functions. We seek control functions which force the qudit to the 0-state within 2 microseconds, which is much faster than what is currently done in practice. The search method is gradient descent, a numerical optimization method that uses gradient information to iteratively improve the control parameters. My contribution to this project is an attempt to speed up the computation of the gradient. It currently takes about 40 seconds to compute the gradient which involves solving a set of ODEs sequentially. Current supercomputers have thousands of cores, but sequential computations can only make use of 1 core at a time. We wish to divide up the work better, so that we can use many more cores at once. To this end, we have implemented the Multigrid Reduction in Time (MGRIT) algorithm. We perform a systematic parameter search on how to best apply this algorithm. Results indicate a 25 percent speed up for solving Lindblad’s equation and determining how close the final state is the 0-state.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Design, Control and Application of Next Generation Qubits

Design, Control and Application of Next Generation Qubits Arun Bansil, Northeastern University (Principal Investigator) Claudio Chamon, Boston University (Co-Investigator) Adrian Feiguin, Northeastern University (Co-Investigator) Liang Fu, MIT (Co-Investigator) Eduardo Mucciolo, Univ. of Central Florida (Co-Investigator) Qimin Yan, Temple University (Co-Investigator) The quest for developing technologies for manipulating and storing information quantum mechanically is currently led by approaches that include Josephson-junctions, ion-traps, and qubits generated by defect spins in solids. Topological qubits, however, are inherently more robust to decoherence by environmental effects, and should be able to sprint ahead once practical barriers have been overcome. At the present stage of the development of the field, it is important to explore a variety of architectures and materials beyond the conventional paradigms in order to seed breakthroughs toward building a scalable quantum computer. Our comprehensive theoretical research program involved four interconnected thrusts as follows. • A materials discovery effort in two-dimensional compounds in search of materials to support Majorana zero modes and defect structures suitable as qubits. • Exploration of architectures for topological quantum computation by investigating both superconducting Majorana qubits, and robust platforms for braiding with new “meta-materials” built of arrays of Majorana qubits. • Investigation of properties of hybrid metal-organic qubits based on transition-metal centers in graphene, and molecular crystals of polyaromatic complexes with embedded transition-metal atoms. • Development of tensor-network and semiclassical approaches to study decoherence in the presence of random and dispersive spin baths, and NV centers in diamond. The full spectrum of theoretical and numerical approaches was used to address the goals of this project including first-principles, density-matrix-renormalization group, tensor networks, and data-driven high-throughput approaches using materials database and machine-learning.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Quantum communications work at SQMS

The Superconducting Quantum Materials and Systems (SQMS) Center is focused on advancing low-loss interconnectivity between quantum processing units (QPUs) to enable scalable quantum computing. In the short term, our goals include the development and optimization of 2D and 3D platforms with remotely entangled modules, refinement in microwave design and control schemes, and the achievement of high-fidelity quantum state transfer between superconducting quantum modules. Looking ahead, we aim to realize modular quantum computing with low-loss interconnects, maximize remote entanglement fidelity and implement robust quantum operations with error correction. We will leverage advanced microwave engineering and material science to optimize the performance of quantum interconnects and the coupling interfaces between the interconnects and the QPUs.

Vallières, André↗
DOE OSTI2024

Material and Interface Engineering Strategies to Mitigate Decoherence in Superconducting Qubits

While significant strides have been made to increase the coherence time of superconducting qubits, further advancements are essential for realizing scalable quantum computing. Decoherence is often a result of loss and noise stemming from two-level systems and excess quasiparticles, arising due to material defects, fabrication processes, and ambient exposure, particularly at surfaces and interfaces. Our recent efforts to mitigate these decoherence mechanisms have employed a variety of strategies, including low-loss surface encapsulation materials, advanced substrate preparation techniques, modifications to metal film growth, and the development of novel fabrication processes. The structural and chemical properties of materials, surfaces, and interfaces are studied using scanning probe microscopy, electron microscopy, photoelectron spectroscopy, mass spectrometry, and X-ray diffraction, which is correlated to device performance metrics, including superconducting resonator internal quality factor and qubit T1 time. This information is used to identify and understand material sources of loss and their origins in the device fabrication process. Through multi-institution efforts within SQMS we have identified the loss mechanism of interstitial hydrogen in niobium-based devices and shown how standard fabrication processes introduce these hydrides, developing strategies to mitigate their formation.1 Furthermore, we have characterized the metal-substrate interface, including the loss of niobium-silicides formed at that interface, and developed silicon surface treatments that reduce atomic scale roughness and oxygen content at the metal-substrate and Josephson junction interfaces.2-4 By developing the connection between materials properties and the overall performance of superconducting quantum circuitry, we can develop fabrication strategies to mitigate material losses, thus supporting the ongoing efforts to enhance coherence time in superconducting quantum devices. 1. Torres-Castanedo, C. G.*, Goronzy, D. P.*, et al., Adv. Funct. Mater., 2401365 (2024) 2. Lu, X., et al., Phys. Rev. Materials 6, 064402 (2022) 3. Berti, G., Appl. Phys. Lett. 122, 192605 (2023) 4. Kopas, C. J., Goronzy, D. P., et al., arXiv:2408.02863 (2024)

Goronzy, Dominic P.↗
DOE OSTI2026

A New Route Toward Atomically Flat and Defect-Free Ge/SiGe Planar Heterostructures

Germanium-based planar heterostructures are emerging as versatile platforms for realizing quantum devices. In particular, planar Ge/SiGe quantum wells (QWs) host hole states with exceptionally high mobility and strong, electrically tunable spin–orbit interactions, enabling full electrical control of quantum information. A key requirement for these systems is the growth of microscopic, defect-free, atomically flat Ge QW heterostructures on relaxed or reverse-graded SiGe buffer layers, as well as on commercial Ge substrates. While several physical deposition techniques have demonstrated high-quality planar Ge/SiGe QWs, a major challenge remains: minimizing defect density typically requires high growth temperatures, which are incompatible with standard CMOS process flows. Here, we present a convenient low-temperature process for realizing high-quality planar SiGe/Ge heterostructures using a combination of thermal and electron-beam evaporation. We systematically map the effects of ex-situ and in-situ substrate preparation protocols, growth temperature, and post-deposition annealing conditions, and correlate these parameters with surface roughness and defect density. We find that in-situ oxide desorption conditions and post-annealing parameters have the most pronounced impact on improving surface quality. Under optimized conditions, we achieve atomically smooth surfaces with root-mean-square roughness σrms​ ≤ 10 Å and negligible defect density. Interestingly, thermally evaporated Ge layers exhibit oriented triangular crystallites that elongate upon post-annealing in the presence of high Ge vapor pressure. These results demonstrate that this simple, low-temperature deposition approach is a viable and effective route for achieving high-quality Ge QW heterostructures, with strong potential for scalable quantum computing and sensing applications.

Tripathi, Malvika [Fermilab] (ORCID:00000001989251↗
DOE OSTI2026

Sapphire Substrate Trenching to Advance Superconducting High-Coherence Quantum Devices

Achieving longer coherence times in superconducting qubits is essential for advancing quantum information processing and enabling scalable quantum computing. This work presents an innovative fabrication strategy focused on sapphire trenching of the substrate of superconducting high-coherence quantum devices, developed by the SQMS Nanofabrication Taskforce in collaboration with the materials characterization team. In this talk, we present a method to efficiently and consistently trench into the sapphire substrate, without compromising the surface roughness or profile of the etched sapphire. In the literature, trenching in the substrate has been shown to decrease losses, unwanted coupling and thermal stress. Sapphire’s strong covalent bonds make it harder to etch compared to silicon, yet it is more favorable for high-coherence quantum devices due to its lower dielectric losses. This innovative technique opens new possibilities for superconducting qubit fabrication: we fabricated high coherence qubit chips on sapphire substrates with trenching, to demonstrate that it will help pushing towards higher coherence times. By integrating this work with ongoing junction process optimization, design innovation, materials characterization and exploration, we outline a clear pathway toward transmon coherence times reaching millisecond scales and beyond.

Garattoni, S. [Fermilab]↗
DOE OSTI2026

A New Route Toward Atomically Flat and Defect-Free Ge/SiGe Planar Heterostructures

Germanium-based planar heterostructures are emerging as versatile platforms for realizing quantum devices. In particular, planar Ge/SiGe quantum wells (QWs) host hole states with exceptionally high mobility and strong, electrically tunable spin–orbit interactions, enabling full electrical control of quantum information. A key requirement for these systems is the growth of microscopic, defect-free, atomically flat Ge QW heterostructures on relaxed or reverse-graded SiGe buffer layers, as well as on commercial Ge substrates. While several physical deposition techniques have demonstrated high-quality planar Ge/SiGe QWs, a major challenge remains: minimizing defect density typically requires high growth temperatures, which are incompatible with standard CMOS process flows. Here, we present a convenient low-temperature process for realizing high-quality planar SiGe/Ge heterostructures using a combination of thermal and electron-beam evaporation. We systematically map the effects of ex-situ and in-situ substrate preparation protocols, growth temperature, and post-deposition annealing conditions, and correlate these parameters with surface roughness and defect density. We find that in-situ oxide desorption conditions and post-annealing parameters have the most pronounced impact on improving surface quality. Under optimized conditions, we achieve atomically smooth surfaces with root-mean-square roughness σrms​ ≤ 10 Å and negligible defect density. Interestingly, thermally evaporated Ge layers exhibit oriented triangular crystallites that elongate upon post-annealing in the presence of high Ge vapor pressure. These results demonstrate that this simple, low-temperature deposition approach is a viable and effective route for achieving high-quality Ge QW heterostructures, with strong potential for scalable quantum computing and sensing applications.

Tripathi, Malvika [Fermilab] (ORCID:00000001989251↗
DOE OSTI2026

Sapphire Substrate Trenching to Advance Superconducting High-Coherence Quantum Devices

Achieving longer coherence times in superconducting qubits is essential for advancing quantum information processing and enabling scalable quantum computing. This work presents an innovative fabrication strategy focused on sapphire trenching of the substrate of superconducting high-coherence quantum devices, developed by the SQMS Nanofabrication Taskforce in collaboration with the materials characterization team. In this talk, we present a method to efficiently and consistently trench into the sapphire substrate, without compromising the surface roughness or profile of the etched sapphire. In the literature, trenching in the substrate has been shown to decrease losses, unwanted coupling and thermal stress. Sapphire’s strong covalent bonds make it harder to etch compared to silicon, yet it is more favorable for high-coherence quantum devices due to its lower dielectric losses. This innovative technique opens new possibilities for superconducting qubit fabrication: we fabricated high coherence qubit chips on sapphire substrates with trenching, to demonstrate that it will help pushing towards higher coherence times. By integrating this work with ongoing junction process optimization, design innovation, materials characterization and exploration, we outline a clear pathway toward transmon coherence times reaching millisecond scales and beyond.

Garattoni, S. [Fermilab]↗
DOE OSTI2023

60 Microlensing Events from the Three Years of Zwicky Transient Facility Phase One

Abstract Microlensing events have historically been discovered throughout the Galactic bulge and plane by surveys designed solely for that purpose. We conduct the first multiyear search for microlensing events on the Zwicky Transient Facility (ZTF), an all-sky optical synoptic survey that observes the entire visible northern sky every few nights. We discover 60 high-quality microlensing events in the 3 yr of ZTF-I using the bulk lightcurves in the ZTF Public Data Release 5.19 of our events are found outside of the Galactic plane (∣ b ∣ ≥ 10°), nearly doubling the number of previously discovered events in the stellar halo from surveys pointed toward the Magellanic Clouds and the Andromeda galaxy. We also record 1558 ongoing candidate events as potential microlensing that can continue to be observed by ZTF-II for identification. The scalable and computationally efficient methods developed in this work can be applied to future synoptic surveys, such as the Vera C. Rubin Observatory’s Legacy Survey of Space and Time and the Nancy Grace Roman Space Telescope, as they attempt to find microlensing events in even larger and deeper data sets.

79 ASTRONOMY AND ASTROPHYSICS↗