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At least 145 records · Page 8

Symposium: Quantum Theory, Quantum Materials, Quantum Computing (Final Report, DE-SC0022551)

Quantum mechanics is fundamental to understanding, predicting, and controlling many physical processes in a vast range of scientific and technological areas. In molecules and materials, the quantum mechanics of Coulombic many-body systems determines far more than the ground state and bulk properties. Quantum mechanics governs magnetism, electron and spin transport, chemical reactions and catalysis, superconductivity, photosynthesis, etc. Each plays a vital role in modern society. As digital technologies push both temporal and length-scale limits, fundamental quantum principles become the current focus for a new class of technologies: quantum computing, quantum sensing, quantum encryption, etc. This oncoming quantum information sciences wave is manifest recently in frontier foci of all six Department of Energy Office of Science programs. The Sanibel Symposium offers a proven, influential platform for facilitating and advancing cross-fertilization among theoretical and computational chemists and physicists, computer scientists, and materials engineers. The Symposia have a long, successful record of driving progress on theory and computation of materials, nanostructures, and their molecular constituents. The Symposia thus are well-suited for advancing the quantum information science thrust in the Office of Basic Energy Sciences (BES). With that QIS thrust as the focus, we propose five sessions of the 61st Sanibel Symposium on the theme Quantum Theory, Quantum Materials, Quantum Computing. From a longer perspective, this thematic program for 2022 is the second year of a five year plan of program segments addressed at challenges in quantum information sciences and quantum materials. The rest of the Symposium program will be of considerable relevance, with, for example, sessions on quantum molecular and material dynamics, and new directions in coupled cluster theory. New ideas for methods and applications can be expected to emerge from the stimulus of the formal presentations and informal discussions. The proposed award is targeted at students, post-docs, and junior scientists. Conscious effort, characteristic of the Sanibel Symposia, to stimulate the participation of women and under-represented minorities will continue.

36 MATERIALS SCIENCE↗

A Roadmap for Quantum Interconnects

Created by Q-NEXT, a U.S. Department of Energy (DOE) National Quantum Information Science Research Center, this document is a roadmap for quantum interconnects research and its impact for quantum information science and technology. It is the outcome of the collective work of a large team of Q-NEXT members and participants from academia, industry and DOE national laboratories. The roadmap addresses the role of quantum interconnects in three emerging areas of quantum information: computing, communication and sensing. It reviews the materials, components and systems used for these purposes; summarizes relevant scientific questions and issues; and addresses the most pressing research needs. The document then distills these considerations into recommendations for strategic science and technology research imperatives for the next decade. In addition to informing Q-NEXT’s internal activities, the roadmap has also been created with a broader objective of developing a guide for key issues and research needed over the next decade for the worldwide scientific and engineering community interested in quantum information.

42 ENGINEERING↗

Computational tools for the simulation and analysis of spin-polarized EPR spectra

The EPR spectra of paramagnetic species induced by photoexcitation typically exhibit enhanced absorptive and emissive features resulting from sublevel populations that differ from thermal equilibrium. The populations and the resulting spin polarization of the spectra are dictated by the selectivity of the photophysical process generating the observed state. Simulation of the spin-polarized EPR spectra is crucial in the characterization of both the dynamics of formation of the photoexcited state as well as its electronic and structural properties. EasySpin, the simulation toolbox for EPR spectroscopy, now includes extended support for the simulation of the EPR spectra of spin-polarized states of arbitrary spin multiplicity and formed by a variety of different mechanisms, including photoexcited triplet states populated by intersystem crossing, charge recombination or spin polarization transfer, spin-correlated radical pairs created by photoinduced electron transfer, triplet pairs formed by singlet fission and multiplet states arising from photoexcitation in systems containing chromophores and stable radicals. In this paper, we highlight EasySpin’s capabilities for the simulation of spin-polarized EPR spectra on the basis of illustrative examples from the literature in a variety of fields ranging across chemistry, biology, material science and quantum information science.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Strategies for Superconducting Transmon Qubits with Millisecond T$_1$ Relaxation Time

Significant strides have been made in extending qubit lifetimes by mitigating lossy materials at various surfaces and interfaces of superconducting transmon qubits. We have recently demonstrated a five-fold improvement of T$_1$ energy relaxation time by encapsulating the Nb surface to prevent native oxide formation. To further extend qubit coherence to millisecond timescales and beyond, we are actively exploring novel strategies. Such strategies include substrate preparation, alternative materials as low loss platforms, novel non-oxide forming low loss capping layers, optimized qubit designs & qubit packaging, and optimized Josephson junction materials, processing, and design. Qubit relaxation time T$_1$ measurements will be reported with best T$_1$’s in excess of a millisecond. This material is based upon work supported by the U.S. Department of Energy, Office of Science, National Quantum Information Science Research Centers, Superconducting Quantum Materials and Systems Center (SQMS) under contract number DE-AC02-07CH11359.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The Deep Space Network: An instrument for radio science research

Doppler and ranging data routinely generated at the Deep Space Stations of the California Institute of Technology-Jet Propulsion Laboratory Deep Space Network serve as an excellent source of radio science information. Important radio science experiments based on Deep Space Network generated radio metric data have included confirmation of Einstein's Theory of Relativity, measurement of the masses and gravitational harmonics of the planets out to Saturn, and measurement of electron density distribution and turbulence in the solar corona. In response to an increased level of radio science requirements, the Deep Space Network chose in 1976 to implement a new radio science system, which was completed in late 1978. Key features include (1) highly phase stable open loop receivers, (2) reduction of recorded data bandwidth through use of programmed local oscillators, and (3) real time digitization and recording on computer compatible tape.

Renzetti, N. A.↗

NASA Tech Briefs, November 1999

Topics covered include: Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Materials; Computer Programs; Mechanics; Machinery/Automation; Physical Sciences; Mathematics and Information Sciences; Books and Reports.

Source record↗

Exposing the Strategies that Can Reduce the Obstacles: Improving the Science User Experience

It is now well established that pursuing generic solutions to what seem are common problems in Earth science data access and use can often lead to disappointing results for both system developers and the intended users. This presentation focuses on real-world experience of managing a large and complex data system, NASAs Earth Science Data and Information Science System (EOSDIS), whose mission is to serve both broad user communities and those in smaller niche applications of Earth science data and services. In the talk, we focus on our experiences with known data user obstacles characterizing EOSDIS approaches, including various technological techniques, for engaging and bolstering, where possible, user experiences with EOSDIS. For improving how existing and prospective users discover and access NASA data from EOSDIS we introduce our cross-archive tool: Earthdata Search. This new search and order tool further empowers users to quickly access data sets using clever and intuitive features. The Worldview data visualization tool is also discussed highlighting how many users are now performing extensive data exploration without necessarily downloading data. Also, we explore our EOSDIS data discovery and access webinars, data recipes and short tutorials, targeted technical and data publications, user profiles and social media as additional tools and methods used for improving our outreach and communications to a diverse user community. These efforts have paid substantial dividends for our user communities by allowing us to target discipline specific community needs. The desired take-away from this presentation will be an improved understanding of how EOSDIS has approached, and in several instances achieved, removing or lowering the barriers to data access and use. As we look ahead to more complex Earth science missions, EOSDIS will continue to focus on our user communities, both broad and specialized, so that our overall data system can continue to serve the needs of science and applications users.

communications↗

Imaging dynamic exciton interactions and coupling in transition metal dichalcogenides

Transition metal dichalcogenides (TMDs) are regarded as a possible material platform for quantum information science and related device applications. In TMD monolayers, the dephasing time and inhomogeneity are crucial parameters for any quantum information application. In TMD heterostructures, coupling strength and interlayer exciton lifetimes are also parameters of interest. However, many demonstrations in TMDs can only be realized at specific spots on the sample, presenting a challenge to the scalability of these applications. Here, using multi-dimensional coherent imaging spectroscopy, we shed light on the underlying physics—including dephasing, inhomogeneity, and strain—for a MoSe 2 monolayer and identify both promising and unfavorable areas for quantum information applications. We, furthermore, apply the same technique to a MoSe 2 /WSe 2 heterostructure. Despite the notable presence of strain and dielectric environment changes, coherent and incoherent coupling and interlayer exciton lifetimes are mostly robust across the sample. This uniformity is despite a significantly inhomogeneous interlayer exciton photoluminescence distribution that suggests a bad sample for device applications. This robustness strengthens the case for TMDs as a next-generation material platform in quantum information science and beyond.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Standards and Best Practices - Two NASA Examples

Formal international standards as well as promotion of community or recommended practices have their place in ensuring "FAIRness" of data. Data management in NASA's Earth Observation System Data and Information System (EOSDIS) has benefited from both of these avenues to a significant extent. The purpose of this paper is to present one example of each of these, which promote (re)usability. The first is an ISO standard for specifying preservation content from Earth observation missions. The work on this started in 2011, informally within the Earth Science Information Partners (ESIP) in the US, while the European Space Agency (ESA) was leading an effort on Long-Term Data Preservation (LTDP). Resulting from the ESIP discussions was NASA's Preservation Content Specification, which was applied in 2012 as a requirement for NASA's new missions. ESA's Preserved Data Set Content (PDSC) document was codified into a document adopted by the Committee on Earth Observation Satellites (CEOS). It was recognized that it would be useful to combine PCS and PDSC into an ISO standard to ensure consistency in data preservation on a broader international scale. This standard, numbered ISO 19165-2 has been under development since mid-2017. The second is an example of developing recommendations for "best practices" within more limited (still fairly broad) communities. A Data Product Developers' Guide (DPDG) is currently being developed by one of NASA's Earth Science Data System Working Groups (ESDSWGs). It is for use by developers of products to be derived from Earth observation data to improve product (re)usability. One of the challenges in developing the guide is the fact that there are already many applicable standards and guides. The relevant information needs to be selected and expressed in a succinct manner, with appropriate pointers to references. The DPDG aims to compile the most applicable parts of earlier guides into a single document outlining the typical development process for Earth Science data products. Standards and best practices formally endorsed by the Earth Science Data and Information System (ESDIS) Standards Office (ESO), outputs from ESDSWGs (e.g., Dataset Interoperability Working Group, and Data Quality Working Group), and recommendations from Distributed Active Archive Centers and data producers are emphasized.

Ramapriyan, Hampapuram↗

Climate science to inform adaptation policy: Heat waves over India in the 1.5°C and 2°C warmer worlds

Developing a better scientific understanding of anthropogenic climate change and climate variability, especially the prediction/projection of climate futures with useful temporal and geographical resolution and quantified uncertainties, and using that knowledge to inform adaptation planning and action will become crucially important in the coming years. Generating such policy-relevant knowledge may be particularly important for developing countries such as India. It is with this backdrop that, in this paper, we analyze future heat waves in India by using observations and a large number of model simulations of historical, + 1.5 °C, and + 2.0 °C warmer worlds. In both the future scenarios, there is an increased probability of heat waves during June and July when the Indian monsoon is in full swing and humidity is high, which makes the heat events even more of a health risk. While the highest temperatures in heat waves may not increase much in future climates, the duration and areal extent of the heat waves will most likely increase, leading to the emergence of new heat wave-prone zones in India. The results indicate that the joint frequencies of the longest duration and large area events could be nearly threefold greater in the + 1.5 °C and fivefold greater in the + 2.0 °C future scenarios compared to historical simulations. Thus, overall, the study indicates a substantial increase in the risk of heat events that typically elicit warnings from forecasters. The likely widespread and persistent nature of heat wave events in the future, as revealed by this study, will require planning and adaptation measures beyond the short-term disaster planning frameworks currently in place. Exploring what these measures might look like is beyond the scope of this study, but it underlines the importance of developing climate knowledge with high temporal and geographical resolution capable of informing adaptation policy and planning.

+1.5 °C and +2.0 °C↗

QCD factorization and quantum mechanics

It is unusual to find quantum chromodynamics (QCD) factorization explained in the language of quantum information science. However, we will discuss how the issue of factorization and its breaking in high-energy QCD processes relates to phenomena like decoherence and entanglement. Further, we will elaborate with several examples and explain them in terms familiar from basic quantum mechanics and quantum information science.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Exploring a quantum-information-relevant magnonic material: Ultralow damping at low temperature in the organic ferrimagnet V[TCNE]x

Quantum information science and engineering require novel low-loss magnetic materials for magnon-based quantum-coherent operations. The search for low-loss magnetic materials, traditionally driven by applications in microwave electronics near room temperature, has gained additional constraints from the need to operate at cryogenic temperatures for many applications in quantum information science and technology. Whereas yttrium iron garnet (YIG) has been the material of choice for decades, the emergence of molecule-based materials with robust magnetism and ultra-low damping has opened new avenues for exploration. Specifically, thin films of vanadium tetracyanoethylene (V[TCNE]x) can be patterned into the multiple, connected structures needed for hybrid quantum elements and have shown room-temperature Gilbert damping (α = 4 × 10−5) that rivals the intrinsic (bulk) damping otherwise seen only in highly polished YIG spheres (far more challenging to integrate into arrays). Here, the authors present a comprehensive and systematic study of the low-temperature magnetization dynamics for V[TCNE]x thin films, with implications for their application in quantum systems. These studies reveal a temperature-driven, strain-dependent magnetic anisotropy that compensates the thin-film shape anisotropy and the recovery of a magnetic resonance linewidth at 5 K that is comparable to room-temperature values (roughly 2 G at 9.4 GHz). The authors can account for these variations of the V[TCNE]x linewidth within the context of scattering from very dilute paramagnetic impurities and anticipate additional linewidth narrowing as the temperature is further reduced.

Yusuf, H. (ORCID:0000000194627928)↗

sp 3 -Functionalization of Single-Walled Carbon Nanotubes Creates Localized Spins

Chemical functionalization-introduced sp 3 quantum defects in single-walled carbon nanotubes (SWCNTs) have shown compelling optical properties for their potential applications in quantum information science and bioimaging. Here, we utilize temperature- and power-dependent electron spin resonance measurements to study the fundamental spin properties of SWCNTs functionalized with well-controlled densities of sp 3 quantum defects. Signatures of isolated spins that are highly localized at the sp 3 defect sites are observed, which we further confirm with density functional theory calculations. Applying temperature-dependent line width analysis and power-saturation measurements, we estimate the spin–lattice relaxation time T 1 and spin dephasing time T 2 to be around 9 μs and 40 ns, respectively. Furthermore, these findings of the localized spin states that are associated with the sp 3 quantum defects not only deepen our understanding of the molecular structures of the quantum defects but could also have strong implications for their applications in quantum information science.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

G4CMP: Condensed matter physics simulation using the G$\scriptsize{\mathrm{EANT}}$4 toolkit

G4CMP simulates phonon and charge transport in cryogenic semiconductor crystals using the Geant4 toolkit. The transport code is capable of simulating the propagation of acoustic phonons as well as electron and hole charge carriers. Herein processes for anisotropic phonon propagation, oblique charge-carrier propagation, and phonon emission by accelerated charge carriers are included. The simulation reproduces theoretical predictions and experimental observations such as phonon caustics, heat-pulse propagation times, and mean charge-carrier drift velocities. In addition to presenting the physics and features supported by G4CMP, this report outlines example applications from the dark matter and quantum information science communities. These communities are applying G4CMP to model and design devices for which the energy transported by phonons and charge carriers is germane to the performance of superconducting instruments and circuits placed on silicon and germanium substrates. The G4CMP package is available to download from GitHub: github.com/kelseymh/G4CMP.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Prism Assembly for Roman Space Telescope Wide Field Instrument Slit-less Spectroscopy

The Roman Space Telescope (RST) is a three mirror anastigmat design with a 2.4 m primary mirror. RST will be based in L2 orbit, from where it will provide science information on exoplanets and dark energy using the Coronagraph Instrument (CGI) and Wide Field Instrument (WFI). The WFI features a 300 megapixel near-infrared detector array which provides a field of view 100 times larger than that of Hubble Space Telescope. The Prism Assembly is a small add-on instrument to the Roman Space Telescope’s Wide Field Instrument (WFI), installed in a slot in WFI’s element wheel. The Prism assembly has a passband from 0.75 µm to 1.8 µm, enabling a survey of redshifts in the range 0.2 to 1.7 µm. It provides low resolution slit-less spectroscopy with a spectral resolution R > 70 for all wavelengths, and R < 170 for λ > 0.8 µm across the full field. The Prism Assembly has the potential to provide more supernova spectra than ground-based spectroscopy during the mission lifetime. Being a late add-on to the RST mission, the Prism Assembly has had restrictions on size, weight and geometry, and a challenging schedule, which has dictated much of the implementation. Despite these challenges, the Prism Assembly is a pocket-sized high-performance spectrographic element, implemented as a refractive, all-spherical optical design using only two elements, one S-TIH-1 glass and one CaF2. This presentation will give an overview of the Prism Assembly, from design and implementation, through alignment, test and calibration. (100 words): The Roman Space Telescope is a three mirror anastigmat design with a 2.4 m primary mirror, which will provide science information on dark energy and exoplanets. The Prism Assembly is a small add-on instrument to the telescope’s Wide Field Instrument, enabling low resolution slit-less spectroscopy with a spectral resolution 70 < R < 170 across the full field from λ= 0.75 µm to 1.8 µm. The Prism Assembly is a refractive, all-spherical optical design using a glass and a CaF2 element. This presentation will give an overview of the Prism Assembly, from design and implementation, through alignment, test and calibration.

Space Instrumentation↗

Space-Time Quantum Information from the Entangled States of Magnetic Molecule (STI Product)

This collaborative project combines synthesis, measurement, and theory by three faculty members at the Eddleman Quantum Institute of UC Irvine to effectively investigate the quantum properties of molecules in the space, time, and frequency domains. Through synthetic chemistry, molecules are tailored for their magnetic and coherent properties. By combining femtosecond (fs) terahertz (THz) light and a continuous wave (cw) THz laser with a low temperature scanning tunneling microscope (STM), quantum phenomena are probed with simultaneous femtosecond temporal and atomic-scale spatial resolution. In particular, the invention of the quantum superposition microscope (QSM) advances quantum sensing for enhanced spectroscopy and imaging capabilities. Coupling theory to the experimental efforts offers a deeper understanding and predictive power for the molecular systems. The phenomena of superposition, entanglement, and coherence is central to quantum information science and can be realized in qubit states. Many systems can be modeled by a double-well potential in which two levels are formed in the two lowest energy states interacting with the environment and external radiation. In focusing on molecules as two-level systems, the underlying expectation is that their tunable composition and structure allows an effective parameter space to optimize their use as qubits for quantum sensing and computing. The THz radiation induces the superposition between the two states, appearing as temporal oscillations that damp in amplitude. Enhanced spectroscopy and imaging in the time and frequency domains is achieved through the extreme sensitivity of the frequency and damping of coherence of two-level systems to its environment. A single hydrogen molecule trapped in the STM tunneling gap experiences a double-well potential and absorption of THz femtosecond pulses of light creates the superposition of its two levels, appearing as damped oscillations in the light induced direct current (DC). The oscillation frequency depends sensitively on the electric field distribution of the copper nitride (Cu 2 N) surface, through the Stark effect, and associated with the different charge distributions at the copper and nitrogen sites and in between. This QSM can resolve variation in the surface electric field with 0.02 nanometer resolution. In addition, the single hydrogen molecule entaes with nearby hydrogen molecules as seen in the avoided level crossings of energy (oscillation frequency) versus the voltage across the tunneling gap. Thus, the first application of the QSM senses and images the surface electric field at the atomic scale. Results from this project advance fundamental understanding of quantum phenomena, develop novel synthesis, measurement, and theory, provide the knowledge foundation for molecule-based qubits and sensing that enable the development of the QSM and emergent technologies. This project trained researchers in quantum information science, extended knowledge in classrooms, and outreached to the community.

47 OTHER INSTRUMENTATION↗

SPILC: An expert student advisor

The Lamar University Computer Science Department serves about 350 undergraduate C.S. majors, and 70 graduate majors. B.S. degrees are offered in Computer Science and Computer and Information Science, and an M.S. degree is offered in Computer Science. In addition, the Computer Science Department plays a strong service role, offering approximately sixteen service course sections per long semester. The department has eight regular full-time faculty members, including the Department Chairman and the Undergraduate Advisor, and from three to seven part-time faculty members. Due to the small number of regular faculty members and the resulting very heavy teaching loads, undergraduate advising has become a difficult problem for the department. There is a one week early registration period and a three-day regular registration period once each semester. The Undergraduate Advisor's regular teaching load of two classes, 6 - 8 semester hours, per semester, together with the large number of majors and small number of regular faculty, cause long queues and short tempers during these advising periods. The situation is aggravated by the fact that entering freshmen are rarely accompanied by adequate documentation containing the facts necessary for proper counselling. There has been no good method of obtaining necessary facts and documenting both the information provided by the student and the resulting advice offered by the counsellors.

Read, D. R.↗

First-Principles Simulation of Beam-Induced Processes Underlying Atomic Manipulation in Electron Microscopes

The development of experimental methods and apparatuses capable of promoting atomically precise material manipulations holds great promise for realizing the ultimate limit of feature miniaturization in materials and devices. The ability to modify materials atom by atom is anticipated to usher in new technologies in areas as diverse as separation science, medicine, and quantum information science. Historically, scanning probe-based techniques have been the most prominent approaches in this space. However, these methods are best suited for the manipulation of surface-exposed regions of materials, as the strong perturbations required for bond scission are delivered most effectively to atoms in the near-proximity to the scanning probe. In contrast, convergent electron beams with energies tuned slightly below the threshold for inducing irreversible knock-on damage have recently been employed (within scanning transmission electron microscopy) to promote atomic-scale bond rearrangements in various beam-stable solids. Currently, however, the efficiency and selectivity of beam-induced atomic manipulation processes with focused electron beams are such that long irradiation times are required to induce a desired atomic rearrangement. With a better understanding of the underlying physics dictating the outcome of a given irradiation event, methods can be devised to improve the efficiency of these techniques so that their promise can be fully realized through widespread adoption.To this end, this Account details our recent efforts to develop and apply tractable first-principles simulation approaches for studying the response of materials to electric beam-like external electric potentials applied in real space. We briefly review the concepts and capabilities in the area of atomically precise materials manipulation and review the early demonstrations of accomplishments in this area, focusing on studies using scanned convergent electron beam probes in particular. We expound upon the depth of the challenge and identify critical shortcomings of theoretical methods that have previously been employed in the simulation of beam-induced processes. We then describe the computational methods that we have generalized from the concepts and tools most commonly applied to the study of molecular photochemistry and how our adaptations of these methods can be employed to capture the relevant dynamical phenomena for beam-induced processes ranging from the initial electron scattering to the ensuing multistate reactions. Here, we contextualize these methods within the current state of the art in this area, which has historically focused primarily on the simulation of inelastic image formation in the electron microscope for the purpose of interpreting the results of quantitative electron microscopy experiments. We demonstrate that the spatial distribution of state-specific excitation rates due to the presence of an external (probe) electric charge is inhomogeneous, such that irradiation at particular locations in materials can favor specific electronic transitions (and disallow others). In addition to the potential for excited-state reaction pathways to be accessed through the initial inelastic scattering of the tightly focused electron beam from the targeted atoms, we also identify favorable conditions for the electronically nonadiabatic evolution of the highly vibrationally excited system to open complex multistate reaction pathways. Implications of the early results for understanding the mechanisms and potential routes to improved efficiency and selectivity in beam-induced reactions are discussed. We conclude with a summary of the current state of theory and modeling capabilities in this area and provide our perspective on future directions for theoretical and experimental developments that we view as crucial to advancing the use of convergent electron beams in mode-specific, atomically precise platforms for direct-write materials modifications.

36 MATERIALS SCIENCE↗