VEDA: Using open source, easily configurable Earth Observation visualizations to connect the science community and stakeholders
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Anthony Boyd↗
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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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High Performance Computing Traffic Simulations for Real-Time Traffic Control of Mobility in Chattanooga Region
In 2019, highway congestion wasted over 3 billion gallons of fuel and caused 8.8 billion hours of lost productivity.1 Research has shown that introducing near-real time traffic controls can significantly reduce congestion. Validated and calibrated traffic simulations enable the modeling of transportation systems and the evaluation of different traffic control actions and schemes given a variety of circumstances that represent likely future scenarios. The developed scenarios can inform the deployment of controls in near real-time to improve freight and passenger vehicle congestion and energy use. In this work, we present simulations used to model the traffic in the Chattanooga, Tennessee, metropolitan area. Simulations were constructed and calibrated using a variety of local, data science enhanced, data sources utilizing open source software including the Simulation of Urban Mobility (SUMO) simulator. High-Performance Computing (HPC) provides a scalable platform with enough computing for the high-fidelity simulation of many scenarios and the application of advance data science especially for large-scale systems. Our simulations include microscopic simulations at a corridor level for traffic signal control, and mesoscopic simulations to evaluate regional operational controls and infrastructure.
97 MATHEMATICS AND COMPUTING↗
The Journal of Open Source Software (JOSS): Bringing Open-Source Software Practices to the Scholarly Publishing Community for Authors, Reviewers, Editors, and Publishers
Open-source software (OSS) is a critical component of open science, but contributions to the OSS ecosystem are systematically undervalued in the current academic system. The Journal of Open Source Software (JOSS) contributes to addressing this by providing a venue (that is itself free, diamond open access, and all open-source, built in a layered structure using widely available elements/services of the scholarly publishing ecosystem) for publishing OSS, run in the style of OSS itself. A particularly distinctive element of JOSS is that it uses open peer review in a collaborative, iterative format, unlike most publishers. Additionally, all the components of the process—from the reviews to the papers to the software that is the subject of the papers to the software that the journal runs—are open. We describe JOSS’s history and its peer review process using an editorial bot, and we present statistics gathered from JOSS’s public review history on GitHub showing an increasing number of peer reviewed papers each year. We discuss the new JOSSCast and use it as a data source to understand reasons why interviewed authors decided to publish in JOSS. JOSS’s process differs significantly from traditional journals, which has impeded JOSS’s inclusion in indexing services such as Web of Science. In turn, this discourages researchers within certain academic systems, such as Italy’s, which emphasize the importance of Web of Science and/or Scopus indexing for grant applications and promotions. JOSS is a fully diamond open-access journal with a cost of around US$\$$5 per paper for the 401 papers published in 2023. The scalability of running JOSS with volunteers and financing JOSS with grants and donations is discussed.
96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
MSD CoP Webinar: Using Meta-Repositories To Facilitate Open Science in MSD Research
Context: This webinar was hosted by the MultiSector Dynamics Community of Practice (MSD CoP; https://multisectordynamics.org). Abstract: In this webinar, we will describe the use of a GitHub meta-repository, for documenting and disseminating the tools and data supporting MSD publications. The goal is to make it easier for others to understand the flow of data and code through your experiment and to be able to reproduce your results and figures with only the information you have provided for them. The webinar will cover the role of open science in the MSD community, the origins and purpose of meta-repositories, and step-by-step instructions and best practices for building a meta-repository starting from the GitHub template (https://github.com/IMMM-SFA/metarepo). We will also discuss how to leverage MSD-LIVE (https://msdlive.org/) in your meta-repository, provide links to numerous examples you can learn from, and discuss the role of meta-repositories in the IM3 project's open science mandates. Presenters : Chris R. Vernon, Casey D. Burleyson, Jennie Rice, and Mengqi Zhao Moderator: Pat M. Reed (MSD CoP Facilitation Team) This webinar was held on: February 22nd, 2024 from 2-3 PM ET
Open Science↗
VEDA Visualization Exploration & Data Analysis
Why? - Interdisciplinary science depends on large amount of Earth science data and computational resources - Working with these datasets is non-trivial - Big data science requires advanced distributed computing knowledge What? VEDA is an open platform that brings key Earth science datasets next to open source tools for data processing, analysis, visualization, and exploration in a managed and more accessible computing environment.
Manil Maskey↗
An Evolving Worldview: Making Open Source Easy
NASA Worldview is an interactive interface for browsing full-resolution, global satellite imagery. Worldview supports an open data policy so that academia, private industries and the general public can use NASA's satellite data to address Earth science related issues. Worldview was open sourced in 2014. By shifting to an open source approach, the Worldview application has evolved to better serve end-users. Project developers are able to have discussions with end-users and community developers to understand issues and develop new features. New developers are able to track upcoming features, collaborate on them and make their own contributions. Getting new developers to contribute to the project has been one of the most important and difficult aspects of open sourcing Worldview. A focus has been made on making the installation of Worldview simple to reduce the initial learning curve and make contributing code easy. One way we have addressed this is through a simplified setup process. Our setup documentation includes a set of prerequisites and a set of straight forward commands to clone, configure, install and run. This presentation will emphasis our focus to simplify and standardize Worldview's open source code so more people are able to contribute. The more people who contribute, the better the application will become over time.
open dat↗
The Requirements and Design of the Space Weather Science Operation Center
The Space Weather Science Operations Center (SWxSOC) is a NASA project to develop an open-source cloud-based multi-mission Science Operations Center for the community targeting space weather missions that require data products be released consistently and automatically. The first customer of this SOC is the Heliophysics Environmental and Radiation Measurement Experiment Suite (HERMES) that will fly on the Lunar Gateway. The HERMES instrumentation includes an ion mass spectrometer, an electron electrostatic analyzer, a proton and electron telescope for energetic particles, and a set of magnetometers. After a one year transit to the Moon, HERMES will begin a science campaign that addresses heliophysics and space-weather objectives. In this presentation, we will discuss the overall architecture and design of the SOC, the requirements it satisfies and the systems engineering approach used. We will also discuss plans for how to increase it’s capabilities to support new and different missions.
Steven Daniel Christe↗
Linear graphlet models for accurate and interpretable cheminformatics
The surprising effectiveness of topology in the chemical sciences: graphlets in our open-source library, , provide accurate white-box 2D chemical property prediction.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Open Science for Climate at NASA
The US National Aeronautics and Space Administration (NASA) currently provides more than 75 Petabytes of open access data through NASA’s Earth Science Data and Information System (ESDIS). Many of these datasets are commonly used in WCRP research, including the Global Precipitation Measurement (GPM) mission dataset, the Soil Moisture Active Passive (SMAP) mission dataset, the IceBridge dataset, and the Atmospheric Infrared Sounder (AIRS) dataset. These datasets are essential tools for understanding patterns in precipitation, soil moisture, ice mass changes, atmospheric circulation, and their impacts on climate. NASA is also a leader in the White House OSTP’s “Federal Year of Open Science” in 2023, promoting open access and open source solutions.
Climate Data↗
Bridging the Gap: Enhancing Prominence and Provenance of NASA Datasets in Research Publications
Attribution of datasets that were used to generate research results described in peer-reviewed publications to the original source of these datasets (which are often archived at NASA Earth Science data centers) has been very challenging. Even though the data citation standard of citing datasets as research artifacts and citing them with Digital Object Identifiers (DOIs) was introduced over a decade ago, most authors do not properly reference the data used in their studies and merely mention them in the text. The lack of proper citations of datasets makes the peer-reviewed publication less transparent, imperils reproducibility, and impedes open science. We offer an open-source publication management methodology and a tool that can help to enhance usage-based data discovery, prominence, and provenance of the data; reproducibility of the research results; and potentially increase the return on investment on NASA-funded research.
open-source↗
Functionality of the Python Packages for the HERMES Mission
The Heliophysics Environmental and Radiation Measurement Experiment Suite (HERMES) is a set of four instruments that will fly on the Lunar Gateway, an orbital outpost which will support Artemis lunar operations. HERMES will focus on understanding the causes of space-weather variability as driven by the Sun and modulated by the magnetosphere. In this talk, we will discuss the open source approach of the HERMES Science Operation Center (SOC) team being implemented in a number of Python packages which all work together. We will describe the core package which contains Python interfaces for the loading, calibrating, plotting, validating, and saving of measurement data through Common Data Format (CDF) files making use of pycdf provided by spacepy. Each instrument also has a Python package developed using a package template and will provide specific calibration and processing functionality to each instrument. The packages make extensive use of the scientific Python ecosystem and maintain compatibility with PyHC standards. The abstraction of intricate, high heritage data formats, such as CDF files, in Python enables easier analysis and opens doors for greater participation in heliophysics science.
hermes↗
EVEREST: Pixel Level Decorrelation of K2 Light Curves
We present EPIC Variability Extraction and Removal for Exoplanet Science Targets (EVEREST), an open-source pipeline for removing instrumental noise from K2 light curves. EVEREST employs a variant of pixel level decorrelation to remove systematics introduced by the spacecraft’s pointing error and a Gaussian process to capture astrophysical variability. We apply EVEREST to all K2 targets in campaigns 0–7, yielding light curves with precision comparable to that of the original Kepler mission for stars brighter than K(sub p) ≈ 13, and within a factor of two of the Kepler precision for fainter targets. We perform cross-validation and transit injection and recovery tests to validate the pipeline and compare our light curves to the other de-trended light curves available for download at the MAST High Level Science Products archive. We find that EVEREST achieves the highest average precision of any of these pipelines for unsaturated K2 stars. The improved precision of these light curves will aid in exoplanet detection and characterization, investigations of stellar variability, asteroseismology, and other photometric studies. The EVEREST pipeline can also easily be applied to future surveys, such as the TESS mission, to correct for instrumental systematics and enable the detection of low signal-to-noise transiting exoplanets. The EVEREST light curves and the source code used to generate them are freely available online.
Catalogs↗
dCache - Keeping up With the Evolution of Science
The dCache project provides open-source software deployed internationally to satisfy ever more demanding storage requirements of various scientific communities. Its multifaceted approach provides an integrated way of supporting different use-cases with the same storage, from high throughput data ingest, through wide access and easy integration with existing systems, including event driven workflow management. With this presentation, we will show some of the recent developments that optimize data management and access to maximise the gain from stored data.
Mkrtchyan, Tigran↗
ORNL Second Target Station Project: Biological & Environmental Science Workshop
Recent advances in neutron sources and instrumentation have opened up many new opportunities for the application of neutron scattering techniques in the biological and environmental sciences. Neutrons enable studies of the structure and dynamics of biological and environmental samples with a particular sensitivity to light elements, such as hydrogen, which is a key component of biological and environmental samples. Studies using neutrons are complementary to X-rays and have the unique advantage of being non-destructive and highly-penetrating. Oak Ridge National Laboratory’s upcoming Spallation Neutron Source (SNS) Second Target Station (STS) will provide high brightness cold neutron sources that significantly advance the scientific capabilities of neutron scattering instruments. The STS will advance our understanding of biological and environmental processes across spatial and temporal scales. The capabilities will enhance our ability to discover, design, and develop new materials essential for advanced sustainable technologies to address society’s most pressing needs. This report summarizes the discussions and recommendations from a joint workshop held by the STS Project and the Biological and Environmental Systems Science Directorate (BESSD) in June 2022. The purpose of the workshop was to explore science opportunities and capabilities related to biological and environmental systems that could be incorporated into both current and future STS instrument designs, as well as additional instruments at the SNS First Target Station (FTS) and High Flux Isotope Reactor (HFIR). With six breakout sessions, each with two invited plenary speakers from other institutions, the participants discussed a wide range of topics relevant to biological and environmental research. Based on the input from participants, a number of recommendations on instrumentation, sample environments, complementary multi-modal methods, data processing and analysis and sample deuteration are provided in the report. The participants also identified science opportunities that are emerging from the planned instrument capabilities at STS. Selected recommendations and science opportunities are listed in the Executive Summary.
54 ENVIRONMENTAL SCIENCES↗
How We Work: Unlocking NASA Earth Science Data and Evolving Our Teams
Using Open Source to build innovative programs, enable fully remote work & expose massive data for more effective use.
open source↗
gRASPA
GPU Monte Carlo Simulation Code with a taste of RASPA We present enhancements in Monte Carlo simulation speed and functionality within an open-source code, gRASPA, which uses graphical processing units (GPUs) to achieve significant performance improvements compared to serial, CPU implementations of Monte Carlo. The code supports a wide range of Monte Carlo simulations, including canonical ensemble (NVT), grand canonical, NVT Gibbs, Widom test particle insertions, and continuous-fractional component Monte Carlo. Implementation of grand canonical transition matrix Monte Carlo (GC-TMMC) and a novel feature to allow different moves for the different components of metal-organic framework (MOF) structures exemplify the capabilities of gRASPA for precise free energy calculations and enhanced adsorption studies, respectively. The introduction of a High-Throughput Computing (HTC) mode permits many Monte Carlo simulations on a single GPU device for accelerated materials discovery. The code can incorporate machine learning (ML) potentials. The open-source nature of gRASPA promotes reproducibility and openness in science, and users may add features to the code and optimize it for their own purposes. The code is written in CUDA/C++ and SYCL/C++ to support different GPU vendors. The gRASPA code is publicly available at https://github.com/snurr-group/gRASPA.
Li, Zhao [Purdue/Northwestern/Notre Dame Universit↗
Design Thinking for the Applied Sciences: Developing a Novel Approach to Encourage the Use of Synthetic Aperture Radar (SAR) and Open Source Tools for Forest Monitoring
Earth observations from Synthetic Aperture Radar, or SAR, have yet to be fully leveraged for forest monitoring applications. While SAR sensors are uniquely able to capture components of forest structure over optical imagery, especially in cloud-heavy regions, there is a shortage of freely-available applied training materials and related case studies. With the wealth of available datasets from Sentinel-1 and other missions, such as ALOS-Palsar open historical archive, and in preparation for upcoming opendata policy SAR missions (e.g. NISAR and BIOMASS), the applied forestry community would benefit from increased access to relevant, understandable SAR training materials. This work documents lessons learned and best practices for creating EO capacity building/training materials gleaned from the SAR Handbook project. Strategies for increasing legibility for both print and online applications, illustration and editing guidelines for original and modified figures, and the development of quick-reference guides will be shared. Additionally, the conception and use of companion “explainer” videos, using cartoon characters and humor to outline relevant SAR concepts will be explored. Preliminary results indicate the SAR Handbook and supplemental project materials are already having an impact in training sessions. Increased uptake of SAR technologies in SERVIR Hub regions, where Hubs are leading follow-on SAR trainings, has also been noted. In addition, a review of download statistics from the SERVIR global website indicates widespread worldwide access. We conclude similar holistic approaches integrating design concepts into future content development would help increase uptake of EO applications by the earth science community.
Kucera, Leah M.↗
CASM — A software package for first-principles based study of multicomponent crystalline solids
CASM is a software package that enables first-principles based studies of crystalline materials. It has been designed to treat coupled chemical, mechanical, vibrational, and magnetic degrees of freedom to determine ground state and finite temperature properties of crystals. The symmetry of the underlying parent crystal structure is used to enumerate perturbations of the parent crystal structure and generate derivative structures which can be input to first-principles calculations in order to explore the ground state energy landscape. CASM algorithmically constructs cluster expansions that fully couple discrete and continuous degrees of freedom, and generates highly efficient code to evaluate the cluster expansion basis functions. Widely used machine learning methods are integrated for fitting expansion coefficients to first-principle calculations. The fully parameterized cluster expansions can be combined with (kinetic) Monte Carlo methods to calculate finite temperature thermodynamic and kinetic properties. CASM Alloy Manager identifies distinct parent crystal structures in an alloy system, creating individual projects for each, and integrating the results. The integrated infrastructure facilitates the linkage between first-principles statistical mechanics predictions with higher length scale computational methods, such as phase field simulations. In conclusion, CASM projects are designed to be easy to share in repositories, to re-use, and to extend to include additional chemical species or types of degrees of freedom.
36 MATERIALS SCIENCE↗