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DOE OSTI2024

Securing Digital Energy Infrastructure: Procurement, Contracting, and Supply Chain Risk Management Guidance

Recognizing the scale of this industry challenge, the United States (U.S.) Department of Energy (DOE) Grid Deployment Office (GDO) and Cybersecurity Energy Security & Emergency Response office have launched a multi-year BESS supply chain security initiative to identify consequence-driven approaches to addressing BESS supply chain security and provide resources to support prioritization of supply chain security efforts associated with the procurement of BESS equipment and services. This guide is one element of the supporting resources to be provided and sets forth a framework and guidance for procurement bidding, selection, risk analysis, and agreements stakeholders can implement to mitigate cybersecurity risks across the entirety of battery system component ecosystem, including the interconnected software and hardware required for control and monitoring BESSs.

25 ENERGY STORAGE↗

DOE OSTI2024

A Microservices Architecture Toolkit for Interconnected Science Ecosystems

Microservices architecture is a promising approach for developing reusable scientific workflow capabilities for inte- grating diverse resources, such as experimental and observational instruments and advanced computational and data management systems, across many distributed organizations and facilities. In this paper, we describe how the INTERSECT Open Architec- ture leverages federated systems of microservices to construct interconnected science ecosystems, review how the INTERSECT software development kit eases microservice capability develop- ment, and demonstrate the use of such capabilities for deploying an example multi-facility INTERSECT ecosystem.

Brim, Michael↗

DOE OSTI2025

The 200 Gbps Challenge: Imagining HL-LHC analysis facilities

The IRIS-HEP software institute, as a contributor to the broader HEP Python ecosystem, is developing scalable analysis infrastructure and software tools to address the upcoming HL-LHC computing challenges with new approaches and paradigms, driven by our vision of what HL-LHC analysis will require. The institute uses a "Grand Challenge" format, constructing a series of increasingly large, complex, and realistic exercises to show the vision of HL-LHC analysis. Recently, the focus has been demonstrating the IRIS-HEP analysis infrastructure at scale and evaluating technology readiness for production. As a part of the Analysis Grand Challenge activities, the institute executed a "200 Gbps Challenge", aiming to show sustained data rates into the event processing of multiple analysis pipelines. The challenge integrated teams internal and external to the institute, including operations and facilities, analysis software tools, innovative data delivery and management services, and scalable analysis infrastructure. The challenge showcases the prototypes - including software, services, and facilities - built to process around 200 TB of data in both the CMS NanoAOD and ATLAS PHYSLITE data formats with test pipelines. The teams were able to sustain the 200 Gbps target across multiple pipelines. The pipelines focusing on event rate were able to process at over 30 MHz. These target rates are demanding; the activity revealed considerations for future testing at this scale and changes necessary for physicists to work at this scale in the future. The 200 Gbps Challenge has established a baseline on today's facilities, setting the stage for the next exercise at twice the scale.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRSDate not supplied

Extravehicular Activity Mission System Software (EMSS) - Enabling Human Planetary Exploration Data Within The Broader Planetary Data Ecosystem

The planetary science community is once again on the verge of generating, capturing and analyzing human planetary exploration data, this time via the Artemis program. Artemis missions will involve robotic missions in addition to human extravehicular activity (EVA) where crew will be generating scientific data [1]. Present-day robotic mission data expectations for data archiving involves ingesting data into the Planetary Data System (PDS), but how might PDS be leveraged/adapted/ready (or not) for human spaceflight mission data, particularly EVA data that includes non-scientific data that provides important context to the scientific data gathered on the lunar surface? This question has broader implications than what this abstract can answer, but we wanted to pose the question to 1) get conversations started and 2) highlight how operations software data handling could play a role in overall data curation.

M J Miller↗

NASA NTRS2016

ROS Hexapod

As an intern project for NASA Johnson Space Center (JSC), my job was to familiarize myself and operate a Robotics Operating System (ROS). The project outcome converted existing software assets into ROS using nodes, enabling a robotic Hexapod to communicate to be functional and controlled by an existing PlayStation 3 (PS3) controller. Existing control algorithms and current libraries have no ROS capabilities within the Hexapod C++ source code when the internship started, but that has changed throughout my internship. Conversion of C++ codes to ROS enabled existing code to be compatible with ROS, and is now controlled using an existing PS3 controller. Furthermore, my job description was to design ROS messages and script programs that enabled assets to participate in the ROS ecosystem by subscribing and publishing messages. Software programming source code is written in directories using C++. Testing of software assets included compiling code within the Linux environment using a terminal. The terminal ran the code from a directory. Several problems occurred while compiling code and the code would not compile. So modifying code to where C++ can read the source code were made. Once the code was compiled and ran, the code was uploaded to Hexapod and then controlled by a PS3 controller. The project outcome has the Hexapod fully functional and compatible with ROS and operates using the PlayStation 3 controller. In addition, an open source software (IDE) Arduino board will be integrated into the ecosystem with designing circuitry on a breadboard to add additional behavior with push buttons, potentiometers and other simple elements in the electrical circuitry. Other projects with the Arduino will be a GPS module, digital clock that will run off 22 satellites to show accurate real time using a GPS signal and an internal patch antenna to communicate with satellites. In addition, this internship experience has led me to pursue myself to learn coding more efficiently and effectively to write, subscribe and publish my own source code in different programming languages. With some familiarity with software programming, it will enhance my skills in the electrical engineering field. In contrast, my experience here at JSC with the Simulation and Graphics Branch (ER7) has led me to take my coding skill to be more proficient to increase my knowledge in software programming, and also enhancing my skills in ROS. This knowledge will be taken back to my university to implement coding in a school project that will use source coding and ROS to work on the PR2 robot which is controlled by ROS software. My skills learned here will be used to integrate messages to subscribe and publish ROS messages to a PR2 robot. The PR2 robot will be controlled by an existing PS3 controller by changing C++ coding to subscribe and publish messages to ROS. Overall the skills that were obtained here will not be lost, but increased.

Davis, Kirsch↗

DOE OSTI2025

Open-Source and FAIR Research Software for Proteomics

Scientific discovery relies on innovative software as much as experimental methods, especially in proteomics, where computational tools are essential for mass spectrometer setup, data analysis, and interpretation. Since the introduction of SEQUEST, proteomics software has grown into a complex ecosystem of algorithms, predictive models, and workflows, but the field faces challenges, including the increasing complexity of mass spectrometry data, limited reproducibility due to proprietary software, and difficulties integrating with other omics disciplines. Closed-source, platform-specific tools exacerbate these issues by restricting innovation, creating inefficiencies, and imposing hidden costs on the community. Open-source software (OSS), aligned with the FAIR Principles (Findable, Accessible, Interoperable, Reusable), offers a solution by promoting transparency, reproducibility, and community-driven development, which fosters collaboration and continuous improvement. In this manuscript, we explore the role of OSS in computational proteomics, its alignment with FAIR principles, and its potential to address challenges related to licensing, distribution, and standardization. Drawing on lessons from other omics fields, we present a vision for a future where OSS and FAIR principles underpin a transparent, accessible, and innovative proteomics community.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2016

ROS Hexapod

As an intern project for NASA Johnson Space Center (JSC), my job was to familiarize myself and operate a Robotics Operating System (ROS). The project outcome will convert existing software assets into ROS using nodes, enabling a robotic Hexapod to communicate and to be functional and controlled by an existing PlayStation 3 (PS3) controller. Existing control algorithms and current libraries have no ROS capabilities within the Hexapod C++ source code. Conversion of C++ codes to ROS will enable existing code to be compatible with ROS, and will be controlled using existing PS3 controller. Furthermore, my job description is to design ROS messages and script programs which will enable assets to participate in the ROS ecosystem. In addition, an open source software (IDE) Arduino board will be integrated in the ecosystem with designing circuitry on a breadboard to add additional behavior with push buttons, potentiometers and other simple elements in the electrical circuitry. Other projects with the Arduino will be a GPS module digital clock that will run off 22 satellites to show accurate real time using a GPS signal and internal patch antenna to communicate with satellites.

Davis, Kirsch↗

DOE OSTI2025

AmeriFlux FLUXNET-1F US-Sta Saratoga

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-Sta Saratoga. This is the FLUXNET version of the carbon flux data for the site US-Sta Saratoga produced by applying the standard ONEFlux (1F) software. Site Description - Sagebrush steppe ecosystem

Ewers, Brent [University of Wyoming]↗

DOE OSTI2024

SmoQyDQMC.jl: A flexible implementation of determinant quantum Monte Carlo for Hubbard and electron-phonon interactions

We introduce the SmoQyDQMC.jl package, a Julia implementation of the determinant quantum Monte Carlo algorithm. SmoQyDQMC.jl supports generalized tight-binding Hamiltonians with on-site Hubbard and generalized electron-phonon ( e e -ph) interactions, including non-linear e e -ph coupling and anharmonic lattice potentials. Our implementation uses hybrid Monte Carlo methods with exact forces for sampling the phonon fields, enabling efficient simulation of low-energy phonon branches, including acoustic phonons. The SmoQyDQMC.jl package also uses a flexible scripting interface, allowing users to adapt it to different workflows and interface with other software packages in the Julia ecosystem. The code for this package can be downloaded from our GitHub repository at https://github.com/SmoQySuite/SmoQyDQMC.jl or installed using the Julia package manager. The online documentation, including examples, can be obtained from our document page at https://smoqysuite.github.io/SmoQyDQMC.jl/stable/.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Codebase release r0.3 for SmoQyDQMC.jl

Cohen-Stead, Benjamin (ORCID:0000000279156280)↗

DOE OSTI2026

Viskores: Integrating Parallel Scientific Visualization Research into Applications

Viskores is a scientific visualization library that is the primary deployment of such algorithms to the parallel accelerated processors of modern DOE supercomputers. In this paper, we review the capabilities provided by Viskores and how these capabilities are leveraged by other software in the high-performance computing ecosystem. We discuss the Viskores data representation and pay particular attention to array management. Through this array management we describe how data is adapted between Viskores and other software along with strategies for converting dynamic, polymorphic objects to static representations better suited to GPU processing. We conclude with several examples of Viskores integrating with high-performance software that is used in production today.

Moreland, Ken [ORNL] (ORCID:0000000270513288)↗

NASA NTRS2019

The Arctic-Boreal vulnerability experiment model benchmarking system

NASA's Arctic-Boreal Vulnerability Experiment (ABoVE) integrates field and airborne data into modeling and synthesis activities for understanding Arctic and Boreal ecosystem dynamics. The ABoVE Benchmarking System (ABS) is an operational software package to evaluate terrestrial biosphere models against key indicators of Arctic and Boreal ecosystem dynamics, i.e.: carbon biogeochemistry, vegetation, permafrost, hydrology, and disturbance. The ABS utilizes satellite remote sensing data, airborne data, and field data from ABoVE as well as collaborating research networks in the region, e.g.: the Permafrost Carbon Network, the International Soil Carbon Network, the Northern Circumpolar Soil Carbon Database, AmeriFlux sites, the Moderate Resolution Imaging Spectroradiometer, the Orbiting Carbon Observatory 2, and the Soil Moisture Active Passive mission. The ABS is designed to be interactive for researchers interested in having their models accurately represent observations of key Arctic indicators: a user submits model results to the system, the system evaluates the model results against a set of Arctic-Boreal benchmarks outlined in the ABoVE Concise Experiment Plan, and the user then receives a quantitative scoring of model strengths and deficiencies through a web interface. This interactivity allows model developers to iteratively improve their model for the Arctic-Boreal Region by evaluating results from successive model versions. We show here, for illustration, the improvement of the Lund–Potsdam–Jena-Wald Schnee und Landschaft (LPJwsl) version model through the ABoVE ABS as a new permafrost module is coupled to the existing model framework. The ABS will continue to incorporate new benchmarks that address indicators of Arctic-Boreal ecosystem dynamics as they become available.

ABoVE↗

DOE OSTI2026

Trilinos: Enabling Scientific Computing across Diverse Hardware Architectures at Scale

Trilinos is a community-developed, open-source software framework that facilitates building large-scale, complex, multiscale, multiphysics simulation code bases for scientific and engineering problems. Since the Trilinos framework has undergone substantial changes to support new applications and new hardware architectures, this document is an update to “An Overview of the Trilinos project” by Heroux et al. (ACM Transactions on Mathematical Software, 31(3):397–423, 2005). It describes the design of Trilinos, introduces its new organization in product areas, and highlights established and new features available in Trilinos. Particular focus is put on the modernized software stack based on the Kokkos ecosystem to deliver performance portability across heterogeneous hardware architectures. This article also outlines the organization of the Trilinos community and the contribution model to help onboard interested users and contributors.

Heterogeneous Hardware Architectures↗

DOE OSTI2026

Trapped-ion Quantum Network Real-time Control Software (QuantNet Real-time Control) v0.1.0

This real-time control software for the QUANT-NET testbed is built upon the ARTIQ (Advanced Real-Time Infrastructure for Quantum physics) ecosystem. A central contribution of this work is the software's modular and reusable architecture, which facilitates the creation of hierarchical experimental control sequences by combining precomposed sequences and subsequences as building blocks within the framework.

Cheah, You-Wei [Lawrence Berkeley National Laborat↗

DOE OSTI2026

An end-to-end workflow for executing a classically bootstrapped variational quantum algorithm on an academic quantum computer

Academic quantum computing platforms often face unique challenges in executing quantum workloads due to fragmented software environments and limited engineering support. Unlike commercial ecosystems, academic devices typically evolve without full-stack integration in mind, making it difficult to run complex applications—such as variational quantum algorithms (VQA)—reliably and efficiently. Issues such as incompatible software layers and lack of automated job management significantly increase the overhead of theory-experiment collaboration. To address these challenges, we develop a modular, end-to-end workflow that decouples application-layer code from low-level hardware control, automates circuit submission and result collection, and supports fine-grained circuit-level job scheduling and recovery. The architecture employs a dual-end application programming interface (API) design, enabling robust operation across unstable or resource-constrained hardware backends. For practical use, the framework is lightweight and user-friendly, allowing rapid prototyping of full-stack workflows using basic Python tools. We validate this workflow on a high-fidelity trapped-ion quantum computer by demonstrating a variational quantum eigensolver (VQE) experiment with a classically bootstrapped ansatz initialization technique. The system successfully executed over 60,000 circuits across multiple molecular test cases with minimal human intervention, highlighting the framework’s effectiveness in enabling reproducible, resilient quantum experimentation in academic settings.

Clifford↗

DOE OSTI2025

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↗

NASA NTRS2019

The Cumulus Ecosystem: Open Source and Beyond to Foster Collaboration

NASA’s Earth Observing System Data and Information System (EOSDIS) open source Cumulus software is designed as a common set of code and services that can be used to create a pipeline to deliver and manage earth science data in the cloud. Cumulus strives to create an ecosystem on the foundation of open source that unites those with shared problems and goals by encouraging users to contribute solutions back to the platform. Large parts of ingesting and managing data are common and much of what is created can be used by others. Our goal is to maximize collaboration and code reuse while allowing users to design a custom solution that meets their needs without having to take on extraneous functionality. In this talk we will describe how the Cumulus ecosystem works beyond just open source software. We will review the technology, the successes and challenges, and the evolution and future of Cumulus as an ecosystem.

Cumulus↗

NASA NTRSDate not supplied

Monitoring and Assessing Heat Vulnerability to Identify Locations for Heat Mitigation Efforts in Sarasota, Florida

Located in the coastal subtropical region, Florida’s Sarasota County receives plenty of sunlight for more than half of the year. However, the ongoing rise in summer temperatures attributed to climate change poses an increasing vulnerability to extreme heat for the residents. Moreover, the area's high relative humidity exacerbates the discomfort of high temperatures, thereby intensifying the severity of heat events and elevating the risks of heat-related illnesses. Our collaborations with Sarasota County Sustainability underscore shared concerns about the impact of urban heat island (UHI) on the community. We utilized Earth observation data from NASA Landsat 8 and Landsat 9’s Thermal Infrared Sensors (TIRS) and the International Space Station’s Ecosystem Spaceborne Thermal Radiometer Experiment on Space Station (ECOSTRESS) to model UHI effects within the county during the summer from 2019 to 2023. By implementing the open-source Integrated Valuation of Ecosystem Services and Tradeoffs (InVEST) Urban Cooling software model, ArcGIS ModelBuilder, and principal component analysis, we identified the land surface temperature variance within the county and areas that are least capable of mitigating the effects of UHI. In addition, we use socioeconomic and demographic data as indicators to quantify vulnerability at the census tract level. The results revealed that heat intensity varies significantly across Sarasota County, with the highest temperatures being in the more developed western part of the region. We pinpointed that at least three vulnerable communities reside in high-heat regions: North Sarasota, Venice, and North Port. These areas demonstrate a confluence between socioeconomic sensitivity and environmental hazard, indicating a high priority in future heat mitigation efforts.

Theresia Phoa↗