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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Bifunctional Electrocatalysts with High-Entropy Alloys: Bridging Hydrogen Evolution and Oxygen Reduction

High-entropy alloys (HEAs) have emerged as a promising class of bifunctional electrocatalysts capable of simultaneously driving the hydrogen evolution reaction (HER) and the oxygen reduction reaction (ORR) with high activity and durability. Their near-equiatomic multicomponent compositions give rise to unique physicochemical characteristics, including lattice distortion, sluggish diffusion, high-entropy stabilization, and pronounced electronic heterogeneity, that collectively generate diverse and synergistic active sites inaccessible in conventional alloys. This review summarizes recent progress in HEA-based bifunctional electrocatalysis, with a focus on the fundamental mechanisms governing HER and ORR activity, stability, and selectivity. We discuss advances in synthesis strategies, ranging from confined growth and step-alloying to scalable continuous-flow methods, that enable precise control over composition, size, and surface structure. Complementary computational and data-driven approaches, including density functional theory, machine-learning-assisted screening, and descriptor development, are highlighted as essential tools for navigating the vast HEA design space and establishing structure−property relationships. Particular attention is paid to adsorption-energy distributions, multisite cooperativity, and environmental effects under realistic electrochemical conditions. Finally, we outline current challenges and future opportunities for integrating mechanistic understanding with AI-guided, closed-loop design frameworks to accelerate the discovery of next-generation HEA bifunctional electrocatalysts for sustainable energy conversion.

Alloys↗
DOE OSTI2024

Investigating the Future of Scientific Data Search [Slides]

Searching for usable, actionable, data in a trustworthy manner is a challenge across scientific communities. Artificial Intelligence (AI) and Machine Learning (ML) techniques may be leveraged to increase the utility of scientific data by: Demystify unstructured data to aid curation & sharing Surfacing hard to find datasets. User Experience (UX) Research can help uncover scientists needs & challenges finding data and using AI/ML enabled tools.

97 MATHEMATICS AND COMPUTING↗
NASA NTRSDate not supplied

ML/AI Applications to the Atmosphere Science Data and Simulations (Demonstration and Vision)

Artificial Intelligence has been recognized as one of the most powerful tools for scientific research. It has a wide range of applications in atmospheric science and plays a significant role in advancing our understanding of the Earth-Atmosphere system, as well as improving our ability to monitor, predict, and respond to atmospheric observations and simulations. Different AI architectures can help us handle various problems according to our research goals. In this presentation, we will introduce several use cases and models for applying computer vision to active remote sensing data from CALIOP, analyzing cloud dynamical relationships for climate model parameterizations, and building surrogate models for lidar simulations. The presentation will highlight the advantages that AI offers compared to traditional analytical methods. By assembling pieces of the multidimensional atmospheric science puzzle, we can integrate our knowledge from observations to simulations.

Shan Zeng↗
DOE OSTI2025

WorkJournalMaker (WJMaker) v0.5

The software generates and maintains daily work journal entries in text format, via a web browser. The journal entries are saved in a structured directory file tree on the system running the software. The software also incorporates a database so that it can track the location of files in the file system and various other metadata. The software allows the users to access their journal entries either through the browser or as discrete text files, facilitating sharing and open science. Additionally, to assist with the yearly PMP process, this tool connects to LLM APIs to provide summarization of the journal entries on a month-by-month or weekly basis. The advantage over similar technologies such as Apple Notes (extremely popular for notetaking) is that the instant software does not force the user to stay inside the Apple ecosystem, since it allows for export of the user's text files. This facilitates open science, so that researchers who use the tool can easily transfer their research notes to any other system. The WebJournalMaker repository is here: https://github.com/lbnl-science-it/WorkJournalMaker The WebJournalMaker repository is forked from the JournalSummarizer: https://github.com/tyfong-lbl/JournalSummarizer and builds on its code. I wrote the code for both of these software repos, using generative AI.

Fong, Timothy [Lawrence Berkeley National Laborato↗
DOE OSTI2025

Osprey Framework v0.2.2

The Alpha Berkeley Framework is a software architecture for building agentic AI systems that coordinate multi-step workflows in scientific and industrial environments. It is based on a plan-first orchestration model, where natural language requests are translated into execution plans with explicit dependencies and optional human approval. The framework includes capability classification, which selects relevant tools on a per-task basis to keep orchestration efficient as the number of available tools grows. It incorporates task extraction methods that compress conversational context and integrate external resources such as databases, APIs, and knowledge bases into structured, machine-readable tasks. Execution is supported by modular services with checkpointing, artifact management, and error handling, allowing workflows to be paused, inspected, and resumed. The system is designed for deployment in production environments, supporting both local and containerized execution as well as integration with HPC clusters. Interfaces include command-line tools, browser-based workflows, and containerized services. The framework has been demonstrated in tutorial examples and deployed at the Advanced Light Source, where it coordinates accelerator control and analysis workflows.

Hellert, Thorsten [Lawrence Berkeley National Labo↗
DOE OSTI2025

Catalyst-Vision (PEM Catalyst Layer Image Analysis Tool) [SWR-25-100]

Catalyst-Vision (PEM Catalyst Layer Image Analysis Tool) provides an advanced Python-based tool, primarily designed for use in a Jupyter/Colab notebook, for the quantitative morphological analysis of pre-segmented shapes. While developed for analyzing PEM catalyst layers from microscopy, its methodology is suitable for characterizing any grayscale object provided on a uniform white background. The tool uses a robust computer vision pipeline based on the Euclidean Distance Transform and skeletonization to accurately measure local thickness and tortuosity, providing a comprehensive characterization of an object's geometry and internal texture. If you find this code useful, please cite our preprint as: Chan, Ai-Lin and Hayden, Steven and Harvey, Steven P. and Smeaton, Michelle and Okrucky, Caleb and Watt, John and Ulična, Soňa and Spurgeon, Steven and Jungjohann, Katherine and Alia, Shaun, Mechanism-informed breakdown: understanding degradation by controlling voltage hold patterns in PEM water electrolyzers. Preprint (2025).

Spurgeon, Steven [National Laboratory of the Rocki↗
NASA NTRS2020

Biocene 2018

This 'minds-on' workshop will explore emerging cross-discipline tools and techniques for moving Bio-Inspired Design (BID) into “standard practice” in systems engineering and engineering design. Discussion will center on state-of-the-art in BID tools, emerging toolkits for engineering innovation, and industry best practices. The aerospace industry is at a point where components are reaching design maturity and performance improvements are incremental. Aggressive goals for fuel burn reduction and the threat of climate change necessitate a new paradigm. An artificial intelligence (AI) approach that enables revolutionary changes in system architecture, mission analysis and performance metrics is needed. The growing interest and development in the field of machine learning presents an opportunity to speed up by 10 times or more the discovery, analysis and development of aerospace systems using artificial intelligence and natural systems.

Shyam, Vikram↗
NASA NTRS2021

Report on Workshop on Artificial Intelligence in Strategic Planning and Science Prioritization

This report details the observations from a two-day virtual workshop, held May 12-13, 2020, focused on whether, and how, artificial intelligence (AI) could assist humans in strategic planning, specifically in science and technology prioritization. The participants identified several “key challenges” that AI might tackle in this area. To further understand the value of these key challenges the workshop then developed related test cases that would demonstrate specifically how AI/machine learning (ML) could provide assistance to humans. Approximately 40 subject matter experts (SMEs), with backgrounds in AI, strategic planning for science, and scientific data, were gathered for the conference. This report collates the details of the output of the workshop. The “best” test cases include (in no particular order):Use of AI to assist in selecting Decadal Survey priorities. * Use of AI to identify new, or previously unidentified, science topics for prioritization. * Using AI to better label and increase discoverability of scientific literature and proposals. * Use of AI to enhance current observation capabilities for scientific missions. * Using AI to mitigate biases in selection of proposal reviewers and membership of advisory committees. Examination of these test cases indicates that Natural Language Processing (NLP) is a common capability found in most of the ”best” (top-rated) test cases and is a valuable, multi-purpose tool which enables ML in this area.

strategic planning↗
DOE OSTI2021

Optimization of Mitigating System Performance Index to Improve Nuclear Power Plant Safety and Efficiency

MSPI (Mitigation System Performance Index) is one of the risk-informed, plant-specific performance indicators of NRC’s Reactor Oversight Process. MSPI is used by the regulator and nuclear industry to monitor and assess the performance of plant mitigating systems. In this project, a calculation tool has been developed by incorporating the plant operation data, Probabilistic Risk Assessment (PRA) data, and industry baseline values to automate the calculation process of MSPI and the generation of the report. This is the first stage in an effort to optimize the MSPI through advanced artificial intelligence (AI) and machine learning (ML) techniques to improve nuclear power plant safety and efficiency.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Predicting Adaptively Chosen Observables in Quantum Systems

Recent advances have demonstrated that 𝒪⁡(log 𝑀) measurements suffice to predict 𝑀 properties of arbitrarily large quantum many-body systems. However, these remarkable findings assume that the properties to be predicted are chosen independently of the data. This assumption can be violated in practice, where scientists adaptively select properties after looking at previous predictions. This work investigates the adaptive setting for three classes of observables: local, Pauli, and bounded-Frobenius-norm observables. We prove that Ω⁡(√𝑀) samples of an arbitrarily large unknown quantum state are necessary to predict expectation values of 𝑀 adaptively chosen local and Pauli observables, where the system size scales exponentially and polynomially in 𝑀, respectively. We also present computationally efficient algorithms that achieve this information-theoretic lower bound. In contrast, for bounded-Frobenius-norm observables, we devise an algorithm requiring only 𝒪⁡(log 𝑀) samples, independent of system size. These results highlight the potential pitfalls of adaptivity in analyzing data from quantum experiments and provide algorithmic tools to safeguard against erroneous predictions in quantum experiments.

Machine learning↗
NASA NTRSDate not supplied

Revolutionizing Earth Science with Generalized AI Models

Foundation Models (FM) are generalized Artificial Intelligence (AI) models that are designed to replace a task or an application-specific model and can be used for many downstream applications. These FM can be built on any sequence data and are trained utilizing self-supervised approaches. The obstacle of creating a sizable labeled dataset for training is removed by using self-supervised learning. Most FM employ transformer design that takes advantage of the idea of self-attention, allowing the network to represent the impact of distant data points on one another in space and time. The FM models show emergent qualities that are induced from the data. FM can become a valuable tool for Earth science researchers. Due to the size of these models, downstream applications built fine-tuning these FM perform better and exhibit greater accuracy than models created from scratch. FM significantly lowers the entry barrier in terms of both the time and effort required to develop various downstream applications. For some scientific datasets, such as optical remote sensing data, FM can speed up processes like classification, object detection and prediction. By eliminating the training data bottleneck and maximizing the usage of science data, FM can make it simpler to integrate AI into scientific research. Initial results for three different FMs will be presented.

Rahul Ramachandran↗
NASA NTRSDate not supplied

Atlas: Navigating NASA’s Knowledge Universe with AI-Powered Natural Language Queries

NASA has a vast archive of engineering guidelines, standards, and best practices collected over decades. This encompasses a breadth of topics from rocketry and engineering standards to risk management and space-related health issues. This wealth of information, while invaluable to NASA engineers, staff, and the public, is too extensive for any individual to fully comprehend. To address this challenge, we have developed Atlas, a tool within NASA's Mission Cloud Platform that enables users to query these diverse sources effectively. Atlas allows users to ask natural language questions and receive answers grounded in factual information from source documents. The tool provides responses with direct quotations and links to original documents, ensuring transparency and accuracy. It can address a wide range of queries, from specific technical details like safe distances for rocket launches from lightning to broader topics such as crew health requirements for long-duration space missions, corrosion protection in low Earth orbit, and NASA's agreements with various entities. In developing Atlas, we encountered and overcame several technical challenges. Large Language Models often struggle with consistently providing accurate information, especially for highly specialized topics. We implemented strategies to prevent hallucinations and ensure the reliability of responses, even for complex questions on topics ranging from NASA Mission Classes to intricate rocket science concepts. Additionally, we addressed the challenges of delivering quick responses while maintaining cost-effectiveness. Our presentation will detail the innovative approaches we employed to optimize performance and efficiency, making Atlas a powerful and practical tool for accessing NASA's extensive knowledge base.

Artificial Intelligence↗
DOE OSTI2026

MCP-eGridGPT (MCP-Enabled Chatbot with Electrical Power System Analysis and Interactive Visualization Tool) [SWR-25-126]

This software is an advanced chatbot system that integrates the Model Context Protocol (MCP) to provide intelligent electrical power system analysis and automated visualization generation. The system enables users to interact with complex electrical engineering tools through natural language, automatically analyzes power system data for voltage violations and grid health assessment, and generates professional interactive HTML dashboards and reports. Key features include dynamic tool discovery from MCP servers, multi-LLM provider support, intelligent data interpretation using large language models, automated chart generation, and a web-based interface for real-time analysis. The software bridges sophisticated electrical engineering analysis with user-friendly interfaces, making power system diagnostics accessible through conversational AI.

Choi, Seong [National Laboratory of the Rockies (N↗
DOE OSTI2026

Modeling Framework for Data Center

This chapter highlights the critical need for advanced modeling of data centers due to their rapidly increasing energy consumption and impact on grid reliability. Driven by the demand for AI applications, data centers are projected to consume a significant portion of US energy by 2028, putting stress on an already challenged power grid. The chapter emphasizes the importance of "fast" time-scale models to understand the dynamic interactions between data centers and the grid, especially given the rapid power fluctuations of AI workloads. It outlines a modeling framework that includes both offline and real-time EMT domain simulations, detailing the necessary representations for various components like utility interfaces, transformers, IT loads, UPS, cooling loads, Battery Energy Storage Systems (BESS), generators, protection systems, and higher-level control systems. While standard simulation tools like PSCAD offer basic models, custom development is often required to accurately capture the unique and fast-changing behaviors of modern data centers. The chapter also discusses key metrics and test cases for validating these models, focusing on transient load responses, protection relay coordination, and demand flexibility. Finally, it addresses the challenges of modeling large-scale data centers, such as computational complexity and the trade-off between model fidelity and practicality, suggesting hybrid modeling approaches as a solution. The overarching goal is to create a robust framework that helps assess data center impacts on grid stability, identify vulnerabilities, and inform the development of standards for reliable integration of these large loads into the bulk power system.

25 ENERGY STORAGE↗
NASA NTRSDate not supplied

Beyond Fair: Engagement, Data Usability, and Open Community Productivity through the NASA Open Science Data Repository

The FAIR principle (findable, accessible, interoperable, and reusable) governs the storage and sharing of NASA space biology and health data[1]. These guiding principles maximize reuse of data and the reproducibility of scientific findings. The NASA Open Science Data Repository (OSDR; an expansion of NASA GeneLab) was built on the FAIR principles and houses over 500 studies and close to 1000 datasets from decades of space life sciences experiments. OSDR embodies the FAIR principles through data governance that includes mediated, embargoed, and fully open access data. The FAIR data governance principles were recently proposed to be expanded to encompass a FAIREST framework for assessing research data repositories (FAIR + Engagement, Social connections, and Trust)[2]. FAIREST emphasizes the importance of data repositories engaging with the scientific community and gaining the trust of researchers regarding data quality. Trust also refers to the TRUST principles developed for assessment of digital repositories: Transparency, Responsibility, User Focus, Sustainability, Technology[3]. We present the “Open Science for Life in Space” Analysis Working Groups (AWGs) as evidence regarding the power of engagement, social connections, and trust which has enhanced OSDR’s capabilities and productivity. AWG members engage in two main activities. One, members provide feedback on OSDR scientific standards for data ingestion, curation, and reuse (study, subject and assay metadata; processing pipelines; dataset formats and uniformed structures for machine-readability). Two, AWG members collaborate to mine-reuse OSDR data to conduct scientific analysis. With nearly 800 active members, the AWGs have resulted in 32 publications re-using OSDR data and contributed many papers in two major special issues in Cell (2020) and Nature (2024). AWGs also serve as networking groups, facilitate social connections between researchers at all levels of experience, and also have a social online ‘Forum’ used to keep members informed on projects and opportunities. This community-centric, productive, and trustworthy data culture has resulted in a broader effect with international space agencies, academics, and the commercial space sector wanting to submit their data to OSDR. Ten studies of Inspiration 4 data were recently publicly released by OSDR, as were some JAXA human data. Coming up soon in OSDR are data submissions from the European Space Agency, Virgin Galactic PIs, and SpaceX Polaris Dawn. A major benefit of OSDR is the array of standardized and uniformly formatted data (which was developed through AWG member consensus), from which visualization tools, analysis tools, and machine learning models can be built or trained. This talk will cover the Multi-Study Visualization Tool, the Environmental Data Application, RadLab, and a UCSF-NSF funded knowledge graph biomedical health discovery tool ‘SPOKE’ currently being integrated with OSDR. OSDR also provides training programs in bioinformatics and machine learning to improve the scientific community’s awareness of data availability and to boost their ability to perform data analysis. The increasing engagement of the scientific community and the public with technologies powered by artificial intelligence (AI) heightens the need for data analysis to be transparent. The AI for Life in Space initiative leverages the data products provided in OSDR to train AI models, with an emphasis on explainable and trustworthy AI, which would not be possible without FAIR data and metadata. Overall, here we will demonstrate the importance for NASA life sciences data repositories to adhere to the FAIREST framework, by providing examples and success stories from different aspects of OSDR.

data↗
NASA NTRS2004

Verifying AI Plan Models: Even the Best Laid Plans Need to be Verified

This viewgraph presentation reviews work on model checking, and specifically the SPIN model checker. The goal of this work is to retire a significant class of risks associated with the use of Artificial Intelligence (Al) Planners on Missions. This effort must provide tangible testing results to a mission using Al technology. It is hoped that the work should be possible to leverage the technique and tools throughout NASA

artificial intelligence↗
DOE OSTI2025

Ten questions on building stock modeling to inform energy efficiency and sustainability

To enhance economic competitiveness and ensure energy efficiency, resilience, and security, cities and governments are adopting technologies and strategies to improve their existing building stocks. This approach aims to reduce energy use, improve energy affordability, and ensure a reliable power supply while safeguarding occupants during extreme weather events that may disrupt energy services. The effectiveness of these solutions will depend on building stock characteristics, use patterns, weather conditions, evolving technologies and their markets, and a city’s socio-economic conditions. This paper presents ten questions and answers that highlight the most important issues regarding the use of building stock modeling as a powerful tool to provide insights for informing stakeholders’ actions and decision-making on energy efficiency, costs reduction, and resilience of buildings in cities. Building stock modeling should build upon the fit-for-purpose framework, balancing the use case accuracy requirements, level of complexity, and needed resources (expertise, compute). The advancements in Artificial Intelligence (AI), the increasingly available open dataset of building stock in cities, and the more affordable powerful computing will accelerate the adoption of building stock modeling across scales by researchers and practitioners to inform decision making on sustainability and efficiency.

AI↗