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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

HIResist: a database of HIV-1 resistance to broadly neutralizing antibodies

Changing the course of the human immunodeficiency virus type I (HIV-1) pandemic is a high public health priority with approximately 39 million people currently living with HIV-1 (PLWH) and about 1.5 million new infections annually worldwide. Broadly neutralizing antibodies (bnAbs) typically target highly conserved sites on the HIV-1 envelope glycoproteins (Envs), which mediate viral entry, and block the infection of diverse HIV-1 strains. But different mechanisms of HIV-1 resistance to bnAbs prevent robust application of bnAbs for therapeutic and preventive interventions. Here we report the development of a new database that provides data and computational tools to aid the discovery of resistant features and may assist in analysis of HIV-1 resistance to bnAbs. Bioinformatic tools allow identification of specific patterns in Env sequences of resistant strains and development of strategies to elucidate the mechanisms of HIV-1 escape; comparison of resistant and sensitive HIV-1 strains for each bnAb; identification of resistance and sensitivity signatures associated with specific bnAbs or groups of bnAbs; and visualization of antibody pairs on cross-sensitivity plots. The database has been designed with a particular focus on user-friendly and interactive interface. Our database is a valuable resource for the scientific community and provides opportunities to investigate patterns of HIV-1 resistance and to develop new approaches aimed to overcome HIV-1 resistance to bnAbs.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Overcoming Challenges to Continuous Integration in HPC

Continuous integration (CI) has become a ubiquitous practice in modern software development, with major code hosting services offering free automation on popular platforms. CI offers major benefits, as it enables detecting bugs in code prior to committing changes. While high-performance computing (HPC) research relies heavily on software, HPC machines are not considered “common” platforms. This presents several challenges that hinder the adoption of CI in HPC environments, making it difficult to maintain bug-free HPC projects, and resulting in adverse effects on the research community. Here we explore the challenges that impede HPC CI, such as hardware diversity, security, isolation, administrative policies, and non-standard authentication, environments, and job submission mechanisms. We propose several solutions that could enhance the quality of HPC software and the experience of developers. Implementing these solutions would require significant changes at HPC centers, but if these changes are made, it would ultimately enable faster and better science.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2003

Earth Science Futuristic Trends and Implementing Strategies

For the last several years, there is a strong trend among the science community to increase the number of space-based observations to get a much higher temporal and spatial resolution. Such information will eventually be useful in higher resolution models that can provide predictability with higher precision. Such desirability puts a tremendous burden on any single implementing entity in terms of budget, technology readiness and compute power. The health of planet Earth is not governed by a single country, but in reality, is everyone's business living on this planet. Therefore, with this notion, it is becoming an impractical problem by any single organization/country to undertake. So far, each country per their means has proceeded along satisfactorily in implementing or benefiting directly or indirectly from the Earth observation data and scientific products. However, time has come that this is becoming a humongous problem to be undertaken by a single country. Therefore, this paper gives some serious thoughts in what options are there in undertaking this tremendous challenge. The problem is multi-dimensional in terms of budget, technology availability, environmental legislations, public awareness, and communication limitations. Some of these issues are introduced, discussed and possible implementation strategies are provided in this paper to move out of this predicament. A strong emphasis is placed on international cooperation and collaboration to see a collective benefit for this effort.

Habib, Shahid↗
DOE OSTI2023

Predicting ecosystem metaphenome from community metagenome: A grand challenge for environmental biology

Abstract Elucidating how an organism's characteristics emerge from its DNA sequence has been one of the great triumphs of biology. This triumph has cumulated in sophisticated computational models that successfully predict how an organism's detailed phenotype emerges from its specific genotype. Inspired by that effort's vision and empowered by its methodologies, a grand challenge is described here that aims to predict the biotic characteristics of an ecosystem, its metaphenome, from nucleic acid sequences of all the species in its community, its metagenome. Meeting this challenge would integrate rapidly advancing abilities of environmental nucleic acids (eDNA and eRNA) to identify organisms, their ecological interactions, and their evolutionary relationships with advances in mechanistic models of complex ecosystems. Addressing the challenge would help integrate ecology and evolutionary biology into a more unified and successfully predictive science that can better help describe and manage ecosystems and the services they provide to humanity.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Overview of the distributed image processing infrastructure to produce the Legacy Survey of Space and Time

The Vera C. Rubin Observatory is preparing to execute the most ambitious astronomical survey ever attempted, the Legacy Survey of Space and Time (LSST). Currently the final phase of construction is under way in the Chilean Andes, with the Observatory’s ten-year science mission scheduled to begin in 2025. Rubin’s 8.4-meter telescope will nightly scan the southern hemisphere collecting imagery in the wavelength range 320–1050 nm covering the entire observable sky every 4 nights using a 3.2 gigapixel camera, the largest imaging device ever built for astronomy. Automated detection and classification of celestial objects will be performed by sophisticated algorithms on high-resolution images to progressively produce an astronomical catalog eventually composed of 20 billion galaxies and 17 billion stars and their associated physical properties. In this article we present an overview of the system currently being constructed to perform data distribution as well as the annual campaigns which reprocess the entire image dataset collected since the beginning of the survey. These processing campaigns will utilize computing and storage resources provided by three Rubin data facilities (one in the US and two in Europe). Each year a Data Release will be produced and disseminated to science collaborations for use in studies comprising four main science pillars: probing dark matter and dark energy, taking inventory of solar system objects, exploring the transient optical sky and mapping the Milky Way. Also presented is the method by which we leverage some of the common tools and best practices used for management of large-scale distributed data processing projects in the high energy physics and astronomy communities. We also demonstrate how these tools and practices are utilized within the Rubin project in order to overcome the specific challenges faced by the Observatory.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Quantum Computing for High-Energy Physics: State of the Art and Challenges

Quantum computers offer an intriguing path for a paradigmatic change of computing in the natural sciences and beyond, with the potential for achieving a so-called quantum advantage—namely, a significant (in some cases exponential) speedup of numerical simulations. The rapid development of hardware devices with various realizations of qubits enables the execution of small-scale but representative applications on quantum computers. In particular, the high-energy physics community plays a pivotal role in accessing the power of quantum computing, since the field is a driving source for challenging computational problems. This concerns, on the theoretical side, the exploration of models that are very hard or even impossible to address with classical techniques and, on the experimental side, the enormous data challenge of newly emerging experiments, such as the upgrade of the Large Hadron Collider. In this Roadmap paper, led by CERN, DESY, and IBM, we provide the status of high-energy physics quantum computations and give examples of theoretical and experimental target benchmark applications, which can be addressed in the near future. Having in mind hardware with about 100 qubits capable of executing several thousand two-qubit gates, where possible, we also provide resource estimates for the examples given using error-mitigated quantum computing. The ultimate declared goal of this task force is therefore to trigger further research in the high-energy physics community to develop interesting use cases for demonstrations on near-term quantum computers.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1999

Examining Mars with SPICE

The International Mars Conference highlights the wealth of scientific data now and soon to be acquired from an international armada of Mars-bound robotic spacecraft. Underlying the planning and interpretation of these scientific observations around and upon Mars are ancillary data and associated software needed to deal with trajectories or locations, instrument pointing, timing and Mars cartographic models. The NASA planetary community has adopted the SPICE system of ancillary data standards and allied tools to fill the need for consistent, reliable access to these basic data and a near limitless range of derived parameters. After substantial rapid growth in its formative years, the SPICE system continues to evolve today to meet new needs and improve ease of use. Adaptations to handle landers and rovers were prototyped on the Mars pathfinder mission and will next be used on Mars '01-'05. Incorporation of new methods to readily handle non-inertial reference frames has vastly extended the capability and simplified many computations. A translation of the SPICE Toolkit software suite to the C language has just been announced. To further support cartographic calculations associated with Mars exploration the SPICE developers at JPL have recently been asked by NASA to work with cartographers to develop standards and allied software for storing and accessing control net and shape model data sets; these will be highly integrated with existing SPICE components. NASA specifically supports the widest possible utilization of SPICE capabilities throughout the international space science community. With NASA backing the Russian Space Agency and Russian Academy of Science adopted the SPICE standards for the Mars 96 mission. The SPICE ephemeris component will shortly become the international standard for agencies using the Deep Space Network. U.S. and European scientists hope that ESA will employ SPICE standards on the Mars Express mission. SPICE is an open set of standards, and all related specifications and software are freely distributed around the world. This poster describes the current state of SPICE system development, with special emphasis on current and planned support for Mars exploration missions.

Acton, Charles H.↗
DOE OSTI2025

Machine learning-driven predictive resource management in complex science workflows

Here, the collaborative efforts of large communities in science experiments, often comprising thousands of global members, reflect a monumental commitment to exploration and discovery. Recently, advanced and complex data processing has gained increasing importance in science experiments. Data processing workflows typically consist of multiple intricate steps, and the precise specification of resource requirements is crucial for each step to allocate optimal resources for effective processing. Estimating resource requirements in advance is challenging due to a wide range of analysis scenarios, varying skill levels among community members, and the continuously increasing spectrum of computing options. One practical approach to mitigate these challenges involves initially processing a subset of each step to measure precise resource utilization from actual processing profiles before completing the entire step. While this two-staged approach enables processing on optimal resources for most of the workflow, it has drawbacks such as initial inaccuracies leading to potential failures and suboptimal resource usage, along with overhead from waiting for initial processing completion, which is critical for fast-turnaround analyses. In this context, our study introduces a novel pipeline of machine learning models within a comprehensive workflow management system, the Production and Distributed Analysis (PanDA) system. These models employ advanced machine learning techniques to predict key resource requirements, overcoming challenges posed by limited upfront knowledge of characteristics at each step. Accurate forecasts of resource requirements enable informed and proactive decision-making in workflow management, enhancing the efficiency of handling diverse, complex workflows across heterogeneous resources.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2003

Materials Science

The Materials Science Program is structured so that NASA s headquarters is responsible for the program content and selection, through the Enterprise Scientist, and MSFC provides for implementation of ground and flight programs with a Discipline Scientist and Discipline Manager. The Discipline Working Group of eminent scientists from outside of NASA acts in an advisory capacity and writes the Discipline Document from which the NRA content is derived. The program is reviewed approximately every three years by groups such as the Committee on Microgravity Research, the National Materials Advisory Board, and the OBPR Maximization and Prioritization (ReMaP) Task Force. The flight program has had as many as twenty-six principal investigators (PIs) in flight or flight definition stage, with the numbers of PIs in the future dependent on the results of the ReMaP Task Force and internal reviews. Each project has a NASA-appointed Project Scientist, considered a half-time job, who assists the PI in understanding and preparing for internal reviews such as the Science Concept Review and Requirements Definition Review. The Project Scientist also insures that the PI gets the maximum science support from MSFC, represents the PI to the MSFC community, and collaborates with the Project Manager to insure the project is well-supported and remains vital. Currently available flight equipment includes the Materials Science Research Rack (MSRR-1) and Microgravity Science Glovebox. Ground based projects fall into one or more of several categories. Intellectual Underpinning of Flight Program projects include theoretical studies backed by modeling and computer simulations; bring to maturity new research, often by young researchers, and may include preliminary short duration low gravity experiments in the KC-135 aircraft or drop tube; enable characterization of data sets from previous flights; and provide thermophysical property determinations to aid PIs. Radiation Shielding and preliminary In Situ Resource Utilization (ISRU) studies work towards future long duration missions. Biomaterials support materials issues affecting crew health. Nanostructured Materials are currently considered to be maturing new research, and Advanced Materials for Space Transportation has as yet no PIs. PIs are assigned a NASA Technical Monitor to maintain contact, a position considered to be a 5 percent per PI effort. Currently 33 PIs are supported on the 1996 NRA, which is about to expire, and 59 on the 1998 NRA. Two new NRAs, one for Radiation Shielding and one for Materials Science for Advanced Space Propulsion are due to be announced by the 2003 fiscal year. MSFC has a number of facilities supporting materials science. These include the Microgravity Development Laboratory/SD43; Electrostatic Levitator Facility; SCN Purification Facility; Electron Microscope/Microprobe Facility; Static and Rotating Magnetic Field Facility; X-Ray Diffraction Facility; and the Furnace Development Laboratory.

Source record↗
NASA NTRS2011

Data Serving Climate Simulation Science at the NASA Center for Climate Simulation

The NASA Center for Climate Simulation (NCCS) provides high performance computational resources, a multi-petabyte archive, and data services in support of climate simulation research and other NASA-sponsored science. This talk describes the NCCS's data-centric architecture and processing, which are evolving in anticipation of researchers' growing requirements for higher resolution simulations and increased data sharing among NCCS users and the external science community.

Salmon, Ellen M.↗
NASA NTRS2006

Cassini Archive Tracking System

The Cassini Archive Tracking System (CATS) is a computer program that enables tracking of scientific data transfers from originators to the Planetary Data System (PDS) archives. Without CATS, there is no systematic means of locating products in the archive process or ensuring their completeness. By keeping a database of transfer communications and status, CATS enables the Cassini Project and the PDS to efficiently and accurately report on archive status. More importantly, problem areas are easily identified through customized reports that can be generated on the fly from any Web-enabled computer. A Web-browser interface and clearly defined authorization scheme provide safe distributed access to the system, where users can perform functions such as create customized reports, record a transfer, and respond to a transfer. CATS ensures that Cassini provides complete science archives to the PDS on schedule and that those archives are available to the science community by the PDS. The three-tier architecture is loosely coupled and designed for simple adaptation to multimission use. Written in the Java programming language, it is portable and can be run on any Java-enabled Web server.

Conner, Diane↗
NASA NTRS2017

PandExo: A Community Tool for Transiting Exoplanet Science with JWST and HST

As we approach the James Webb Space Telescope (JWST) era, several studies have emerged that aim to (1) characterize how the instruments will perform and (2) determine what atmospheric spectral features could theoretically be detected using transmission and emission spectroscopy. To some degree, all these studies have relied on modeling of JWST's theoretical instrument noise. With under two years left until launch, it is imperative that the exoplanet community begins to digest and integrate these studies into their observing plans, as well as think about how to leverage the Hubble Space Telescope (HST) to optimize JWST observations. To encourage this and to allow all members of the community access to JWST & HST noise simulations, we present here an open-source Python package and online interface for creating observation simulations of all observatory-supported timeseries spectroscopy modes. This noise simulator, called PandExo, relies on some aspects of Space Telescope Science Institute's Exposure Time Calculator, Pandeia. We describe PandExo and the formalism for computing noise sources for JWST. Then we benchmark PandExoʼs performance against each instrument team's independently written noise simulator for JWST, and previous observations for HST. We find that PandExo is within 10% agreement for HST/WFC3 and for all JWST instruments.

Batalha, Natasha E.↗
NASA NTRS2023

Importance of Ice Nucleation and Precipitation on Climate With the Parameterization of Unified Microphysics Across Scales Version 1 (PUMASv1)

Cloud microphysics is critical for weather and climate prediction. In this work, we document updates and corrections to the cloud microphysical scheme used in the Community Earth System Model (CESM) and other models. These updates include a new nomenclature for the scheme, now called Parameterization of Unified Microphysics Across Scales (PUMAS), and the ability to run the scheme on graphics processing units (GPUs). The main science changes include refactoring an ice number limiter and associated changes to ice nucleation, adding vapor deposition onto snow, and introducing an implicit numerical treatment for sedimentation. We also detail the improvements in computational performance that can be achieved with GPU acceleration. We then show the impact of these scheme changes on the (a) mean state climate, (b) cloud feedback response to warming, and (c) aerosol forcing. We find that corrections are needed to the immersion freezing parameterization and that ice nucleation has important impacts on climate. We also find that the revised scheme produces less cloud liquid and ice but that this can be adjusted by changing the loss process for cloud liquid (autoconversion). Furthermore, there are few discernible effects of the PUMAS changes on cloud feedbacks but some reductions in the magnitude of aerosol–cloud interactions (ACIs). Small cloud feedback changes appear to be related to the implicit sedimentation scheme, with a number of factors affecting ACIs.

Clouds↗
DOE OSTI2021

A metabolic modeling platform for the computation of microbial ecosystems in time and space (COMETS)

Genome-scale stoichiometric modeling of metabolism has become a standard systems biology tool for modeling cellular physiology and growth. Extensions of this approach are emerging as a valuable avenue for predicting, understanding and designing microbial communities. Computation of microbial ecosystems in time and space (COMETS) extends dynamic flux balance analysis to generate simulations of multiple microbial species in molecularly complex and spatially structured environments. Here we describe how to best use and apply the most recent version of COMETS, which incorporates a more accurate biophysical model of microbial biomass expansion upon growth, evolutionary dynamics and extracellular enzyme activity modules. In addition to a command-line option, COMETS includes user-friendly Python and MATLAB interfaces compatible with the well-established COBRA models and methods, as well as comprehensive documentation and tutorials. Overall, this protocol provides a detailed guideline for installing, testing and applying COMETS to different scenarios, generating simulations that take from a few minutes to several days to run, with broad applicability to microbial communities across biomes and scales.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2018

The InSAR Scientific Computing Environment 3.0: A Flexible Framework for NISAR Operational and User-Led Science Processing

The InSAR Scientific Computing Environment (ISCE) was first developed under the NASA Advanced Information Systems Technology as a flexible, extensible object-oriented framework for Interferometric Synthetic Aperture Radar (InSAR) processing. The ISCE framework uses Python 3 at the workflow level, controlling modules of compiled code for functional processing, and managing inputs, outputs, and other flow control services. The currently released version, called ISCE 2.1, is distributed to the research community through the Western North America InSAR Consortium under a research license. The ISCE team is working on the next generation of the code in order to prepare for the NASAISRO SAR (NISAR) mission operational processing. Innovations in this code include augmentation or conversion of the custom Python framework elements in ISCE with the Pyre framework, new workflows for interferometric and polarimetric stack processing, a more intuitive and graphically based user interface, and flow control for hybrid computing environments including CPU/GPU clusters, logging and error tracking facilities, and new more efficient computational modules that exploit graphical processor units (GPUs) when available. The ISCE 3.0 framework is designed to work in an operational environment as well as on a single user’s laptop or compute cluster, with services to discover capabilities and scale computations accordingly.

Buckley, Sean M.↗
NASA NTRS1980

Chemical research projects office: An overview and bibliography, 1975-1980

The activities of the Chemical Research Projects Office at Ames Research Center, Moffett Field, California are reported. The office conducts basic and applied research in the fields of polymer chemistry, computational chemistry, polymer physics, and physical and organic chemistry. It works to identify the chemical research and technology required for solutions to problems of national urgency, synchronous with the aeronautic and space effort. It conducts interdisciplinary research on chemical problems, mainly in areas of macromolecular science and fire research. The office also acts as liaison with the engineering community and assures that relevant technology is made available to other NASA centers, agencies, and industry. Recent accomplishments are listed in this report. Activities of the three research groups, Polymer Research, Aircraft Operating and Safety, and Engineering Testing, are summarized. A complete bibliography which lists all Chemical Research Projects Office publications, contracts, grants, patents, and presentations from 1975 to 1980 is included.

Kourtides, D. A.↗
NASA NTRS2004

Grid Enabled Geospatial Catalogue Web Service

Geospatial Catalogue Web Service is a vital service for sharing and interoperating volumes of distributed heterogeneous geospatial resources, such as data, services, applications, and their replicas over the web. Based on the Grid technology and the Open Geospatial Consortium (0GC) s Catalogue Service - Web Information Model, this paper proposes a new information model for Geospatial Catalogue Web Service, named as GCWS which can securely provides Grid-based publishing, managing and querying geospatial data and services, and the transparent access to the replica data and related services under the Grid environment. This information model integrates the information model of the Grid Replica Location Service (RLS)/Monitoring & Discovery Service (MDS) with the information model of OGC Catalogue Service (CSW), and refers to the geospatial data metadata standards from IS0 19115, FGDC and NASA EOS Core System and service metadata standards from IS0 191 19 to extend itself for expressing geospatial resources. Using GCWS, any valid geospatial user, who belongs to an authorized Virtual Organization (VO), can securely publish and manage geospatial resources, especially query on-demand data in the virtual community and get back it through the data-related services which provide functions such as subsetting, reformatting, reprojection etc. This work facilitates the geospatial resources sharing and interoperating under the Grid environment, and implements geospatial resources Grid enabled and Grid technologies geospatial enabled. It 2!so makes researcher to focus on science, 2nd not cn issues with computing ability, data locztic~, processir,g and management. GCWS also is a key component for workflow-based virtual geospatial data producing.

Chen, Ai-Jun↗