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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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DOE OSTI2025

Atlas-UI-3

SAND2025-14754O Atlas-UI-3 is the third iteration of the LLM chat user interface called Atlas. The tool does not share code with previous versions. It supports chat with large language models (LLMs), connects to retrieval-augmented generation (RAG) servers, features a marketplace/store for model and content providers (MCP), and enables tool calling. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Melander, Darryl [Sandia National Lab. (SNL-CA), L↗

DOE OSTI2025

VISTA

SAND2025-14753O VISTA Image Management is a tool that serves as a thin wrapper around S3 storage, enabling teams to create projects, upload images, and add labels to data. It uses standard open-source libraries, employs conventional authentication and authorization methods, and is expected to run behind a reverse proxy that handles authentication. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Garland, Anthony [Sandia National Lab. (SNL-CA), L↗

DOE OSTI2025

Machine learning methods for weather forecasting

SAND2025-14466O This repository contains code for developing, training, and evaluating machine learning models for weather and climate forecasting, including forecast skill assessment, feature importance analysis, and reproducible workflows for model comparison. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Holthuijzen, Maike [Sandia National Lab. (SNL-CA),↗

DOE OSTI2025

Hydrogen Diffusion Through Stainless Steel

SAND2025-14430O Hydrogen Diffusion Through Stainless Steel is a tool that employs a finite difference method algorithm to solve Fick's law and other mass transport models pertinent to the diffusion of hydrogen through stainless steel. Additionally, the software uses particle swarm optimization to determine physical parameters based on experimental data. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Mason, Tyler [Sandia National Lab. (SNL-CA), Liver↗

DOE OSTI2026

Iterative ML and Experiments for Emerging VOCs

SAND2026-17074O Iterative ML and Experiments for Emerging VOCs is a tool that analyzes and predicts the behaviors of SARS-CoV-2 variants. It processes experimental data on ACE2 (the receptor for the SARS-CoV-2 virus that allows it to infect the cell) and antibody binding using machine learning models, including neural networks, to forecast ACE2 interactions and variant expression. The tool employs transfer learning and global epistasis modeling, integrating public datasets with proprietary data to enhance prediction accuracy. Additionally, it fits concentration-response curves to determine dissociation constants and generates visualizations to support research findings, thereby aiding in the identification of new antibodies for emerging variants of concern. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Sheffield, Thomas [Sandia National Lab. (SNL-NM), ↗

DOE OSTI2026

Roadrunner

SAND2026-17073O Roadrunner software provides a comprehensive platform for simulating the mechanical behavior of crystalline materials under various loading conditions, allowing users to investigate the effects of dislocation slip hardening and damage evolution. Developed as a fork of the Multiphysics Object Oriented Simulation Environment (MOOSE) software from Idaho National Laboratory, Roadrunner is optimized for high-performance computing and can simulate large-scale problems, enabling researchers to explore complex scenarios. Its applications include material design and optimization in aerospace and automotive industries, investigation of failure mechanisms in structural materials, and development of predictive models for crystalline materials under various loading conditions. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Lim, Hojun [Sandia National Lab. (SNL-CA), Livermo↗

DOE OSTI2026

bibcheck

SAND2026-16981O Bibcheck is designed to extract bibliographies from research papers and perform metadata searches to identify errors. It assists authors in checking their bibliographies for metadata errors during the writing process and helps reviewers identify errors in bibliographies of papers under review. The software uses large language models (LLMs) to extract bibliography entries from PDF documents, classifies the type of bibliography entry, and verifies referenced works. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Pearson, Carl [Sandia National Lab. (SNL-CA), Live↗

DOE OSTI2026

Sparow-Examples

SAND2026-16701O SPAROW-Examples software provides a repository of stochastic programming examples designed to demonstrate Sandia's SPAROW optimization library. This resource helps users learn to develop complex applications with SPAROW by offering reference implementations that can be used to test and enhance new optimization solvers. The library offers a diverse range of simple and complex exemplars, including those related to power grid applications such as unit commitment and expansion planning. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Hart, William [Sandia National Lab. (SNL-CA), Live↗

DOE OSTI2026

SPAROW: Stochastic Programming and Related Optimization Workflows

SAND2026-16703O SPAROW: Stochastic Programming and Related Optimization Workflows is a Python library tool that facilitates the development and solution of stochastic programming problems. It provides a user-friendly class structure for defining stochastic programs through scenario-based representations of uncertainties. SPAROW incorporates multiple optimization strategies, including integer programming with all scenarios, progressive hedging, Benders decomposition, and Snoglode, a novel technique developed by Carnegie Mellon University. It also features interfaces to external solvers and functions that are commonly used in analysis workflows, making it applicable to a wide range of scientific and engineering design challenges, particularly in power grid planning. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Hart, William [Sandia National Lab. (SNL-NM), Albu↗

DOE OSTI2026

or-topas: Operations Research Toolkit for Pyomo Alternative Solutions

SAND2026-16702O OR-TOPAS: Operations Research Toolkit for Pyomo Alternative Solutions is a tool that enhances optimization applications defined by the Pyomo modeling library. It offers functions to generate optimal or near-optimal solutions, operating independently of Pyomo’s solver interface. Users can configure these functions with specific solver names and options, resulting in a custom solution object that returns a list of solutions. The OR-TOPAS library includes methods tailored to the properties of the model, such as binary integer programs versus linear programs, and specific solver interfaces like Gurobi. It does not provide models for specific applications, but it is applicable to a wide range of Pyomo optimization models. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Siirola, John [Sandia National Lab. (SNL-CA), Live↗

DOE OSTI2025

CEC Quest: Long Duration Energy Storage Impact Analysis Tool

SAND2025-14389O CEC Quest is a Python tool with a user interface designed to analyze the greenhouse gas impacts of long-duration energy storage projects in California. The tool automates data collection from public sources and uses an Application Programming Interface (API) to enable users to download photovoltaic resource availability, marginal operating emissions rate, and utility rate data. It guides users in inputting parameters for a battery energy storage model and uploading site electrical load data, while also prompting for relevant analysis parameters like timestep and grid limits. CEC Quest performs monthly optimization of one year of data to assess impacts on the site’s electrical bill and the grid’s greenhouse gas emissions. Finally, it conducts a lifecycle analysis to evaluate changes over a defined quantification period, with results aggregated through automated report generation. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Rosewater, David [Sandia National Lab. (SNL-CA), L↗

DOE OSTI2025

TalkPipe Writing Assistant

SAND2025-14316O TalkPipe Writing Assistant offers AI assistance, providing help on a point-by-point basis. Authors can start with their own ideas—whether bullet points, partial paragraphs, or phrases—and specify the document type, desired tone, audience, and any other relevant context. As they write, the assistant provides tailored suggestions for each paragraph. They can request high-level concepts, draft a paragraph, or proofread existing text. The large language model (LLM) considers both preceding and following paragraphs to ensure coherence and flow. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Bauer, Travis [Sandia National Lab. (SNL-CA), Live↗

DOE OSTI2025

MJO CP Tensor Decompositions

SAND2025-14273O MJO CP Tensor Decompositions is a Python tool for computing canonical polyadic (CP) decompositions of MERRA2 observational data to understand the onset and evolution of the Madden-Julian Oscillation (MJO). Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Bull, Diana [Sandia National Lab. (SNL-CA), Liverm↗

DOE OSTI2026

CTGAN-TVAE

SAND2026-18914O CTGAN-TVAE (Conditional Tabular Generative Adversarial Networks-Tabular Variational Autoencoders) generates extensive sets of variable generation data through a hybrid framework. It enhances latent space representation by combining TVAE's robust feature-embedding with CTGAN's ability to condition categorical variables such as time. CTGAN-TVAE employs a fully connected neural network within a conditional generative adversarial network framework to manage continuous and categorical data effectively, capturing complex feature interactions without needing sequential modeling. This was developed as part of NNSA-MSIPP: Minority Serving Institution Partnership Program, Grant Number DE-NA0004016. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

Newlun, Cody [Sandia National Lab. (SNL-CA), Liver↗

DOE OSTI2026

Goated: goal-oriented tensor decompositions in python

SAND2026-20464O Goated performs goal-oriented tensor decompositions in Python, enabling efficient compression of multi-dimensional simulation data. It extends common tensor decomposition methods by incorporating domain-specific knowledge, such as conservation laws in physics, through a penalty term in the optimization process. This approach improves data compression and modeling accuracy across various applications, including physics simulations, by using specialized algorithms and structure-aware subroutines to accelerate solver performance. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

SciDAC↗

DOE OSTI2026

MCNPy

SAND2026-20425O MCNPy runs and analyzes simulations from MCNP, a software that models radiation transport of neutrons and gamma rays. MCNPy uses Python to start MCNP, retrieve event data files, and convert them into graph structures for detailed analysis. It offers visualization tools, including 2D views of particle histories, making complex simulation data easier to interpret for researchers and engineers. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

Nowack, Aaron [Sandia National Lab. (SNL-CA), Live↗

DOE OSTI2026

nnopf

SAND2026-19433O The nnopf tool addresses the optimal power flow (OPF) problem by optimizing electricity delivery from generating plants to consumers. At the same time, it minimizes costs and adheres to power grid constraints. While traditional methods for solving OPF can be computationally intensive, the tool mitigates this challenge by training neural networks on power grids to predict optimal solutions for the OPF problem. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

Hart, William [Sandia National Lab. (SNL-CA), Live↗

DOE OSTI2026

Datashare

Datashare facilitates communication and data sharing within local networks in potentially dangerous situations such as an explosive ordnance disposal. During such events, there is a need to transmit information rapidly around the incident area. It is a distributed database that does not require an internet connection for operation. In addition, Datashare interfaces with XTK and other software applications, allowing for seamless integration and data management. Datashare supports video calls over the network, enabling real-time communication among users. This software serves to organize, package, and share between responders on location and export data to those off location. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Eldridge, Bryce [Sandia National Lab. (SNL-CA), Li↗