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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 OSTI2025

Tough Errors Are no Match (TEAM): Optimizing the Quantum Compiler for Noise Resilience

This report summarizes research performed under the Tough Errors Are no Match (TEAM) project. The primary focus of TEAM has been to research and develop a compilation toolbox leveraging techniques from quantum characterization and control, probabilistic programming, and approximate computing. Our goal was to develop robust protocols that can be integrated into quantum compilers to optimize and enhance the robustness of noisy computation. Here, we provide a summary of TEAM work focused on characterization and control of quantum systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Fermilab 2025 Summer Internship Skills Learned from Working with Mu2e Tracker Team

As part of a DOE RENEW Grant, the undergraduate authors interned at Fermilab. They spent nine weeks over summer 2025 working on the tracker team for the Mu2e experiment. They gained practical experience in a multitude of new skills including electronics installation, testing, and repairs. Their work particularly increased productivity by helping repair the high voltage and calibration pre-amplifiers, over 20,000 of which are needed in the tracker. These components are very fragile and often break during the installation process. The experience also taught them several soft skills such as the importance of thoughtful data storage, record- keeping, and problem-solving skills. They learned the demands of a large, international collaboration and how to work in a team. The authors would like to acknowledge their advisor and PI of the grant, Dr. Christopher G. Fasano, and the Mu2e team lead by co- spokesperson Dr. Bob Bernstein and tracker L2 manager Dr. Brendan Kiburg.

de Zwart, Brontë↗
DOE OSTI2026

A Simulation Resource Team for Innovative Fusion Concepts

This project created a shared simulation resource for innovative fusion concepts at the University of Rochester, built around the FLASH, TriForce, OSIRIS, and OSHUN codes. Many promising fusion approaches are too complex to evaluate by experiment alone yet building a custom simulation capability from scratch for each new concept is expensive and slow. The BETHE Simulation Resource Team addressed this problem by developing and validating a flexible set of numerical tools, which were then applied across three major concept areas: plasma-jet-driven magneto-inertial fusion, staged Z pinches, and field-reversed configurations. The team assisted three concept teams and carried out independent analyses of all three concepts.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Report of the 2025 Workshop on Next-Generation Ecosystems for Scientific Computing: Harnessing Community, Software, and AI for Cross-Disciplinary Team Science

This report summarizes insights from the 2025 Workshop on Next-Generation Ecosystems for Scientific Computing: Harnessing Community, Software, and AI for Cross-Disciplinary Team Science, which convened more than 40 experts from national laboratories, academia, industry, and community organizations to chart a path toward more powerful, sustainable, and collaborative scientific software ecosystems. To address urgent challenges at the intersection of high-performance computing (HPC), AI, and scientific software, participants envisioned agile, robust ecosystems built through socio-technical co-design—the intentional integration of social and technical components as interdependent parts of a unified strategy. This approach combines advances in AI, HPC, and software with new models for cross-disciplinary collaboration, training, and workforce development. Key recommendations include building modular, trustworthy AI-enabled scientific software systems; enabling scientific teams to integrate AI systems into their workflows while preserving human creativity, trust, and scientific rigor; and creating innovative training pipelines that keep pace with rapid technological change. Pilot projects were identified as near-term catalysts, with initial priorities focused on hybrid AI/HPC infrastructure, cross-disciplinary collaboration and pedagogy, responsible AI guidelines, and prototyping of public-private partnerships. This report presents a vision of next-generation ecosystems for scientific computing where AI, software, hardware, and human expertise are interwoven to drive discovery, expand access, strengthen the workforce, and accelerate scientific progress.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

A branch-and-price algorithm for a team orienteering problem with fixed-wing drones

This paper formulates a team orienteering problem with multiple fixed-wing drones and develops a branch-and-price algorithm to solve the problem to optimality. Fixed-wing drones, unlike rotary drones, have kinematic constraints associated with them, thereby preventing them to make on-the-spot turns and restricting them to a minimum turn radius. This paper presents the implications of these constraints on the drone routing problem formulation and proposes a systematic technique to address them in the context of the team orienteering problem. Furthermore, a novel branch-and-price algorithm with branching techniques specific to the constraints imposed due to fixed-wing drones are proposed. Extensive computational experiments on benchmark instances corroborating the effectiveness of the algorithms are also presented.

42 ENGINEERING↗
DOE OSTI2026

Report of the 2026 Workshop on Next-Generation Ecosystems for Scientific Computing: Harnessing Community, Software, and AI for Cross-Disciplinary Team Science

Scientific computing is undergoing rapid transformation as advances in artificial intelligence, heterogeneous computing, automation, and data-intensive research reshape not only computational tools but also the institutions, workforce models, and collaborative practices that support scientific discovery. This report synthesizes insights from the 2026 Workshop on Next-Generation Ecosystems for Scientific Computing, the second in a three-year series focused on strengthening scientific computing ecosystems through socio-technical co-design. Workshop discussions identified four interdependent strategic themes: software ecosystems for AI-enabled scientific discovery; trust, validation, and traceability; human-AI teaming and paradigm shifts; and workforce, pedagogy, and governance. The report translates these themes into eight priorities for community action spanning shared research infrastructure, trust and traceability, user experience, human-AI teaming, workforce development, cross-sector coordination, stewardship and sustainability, and evaluation of scientific value. Together, these priorities outline directions for building scientific computing ecosystems that remain trustworthy, sustainable, innovative, and resilient as AI assumes a growing role in scientific work.

AI↗
DOE OSTI2022

Challenges of and Opportunities for a Large Diverse Software Team

A large software team consisting of members with different expertise, skillsets, personalities, ethnicities, and involving collaboration on a large and complex software product presents many technical and cultural challenges, but also provides unique opportunities. In this article, we discuss the essential issues we faced when successfully transforming a collection of various independently developed software libraries into one large integrated product: the eXtreme-scale scientific Software Development Kit (xSDK). Furthermore, we argue it is just as important to pay attention to cultural challenges, such as establishment of reliable communication channels that considers, among others, differences in personalities and backgrounds as well as overcoming geographical separation and time-zone distribution when collaborating, as technical challenges. Finally, we discuss opportunities stemming from participating in a large diverse software team, such as increased internal expertise, variety of skillsets, broadened connections to external experts, and access to a larger pool of ideas or solutions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Dynamic Charging Rendezvous and Motion Planning for a Multi-AGV Team Including a Mobile Charging Host

Teams of automated battery-powered electric vehicles have the potential to execute complex mission tasks in off-road environments for agriculture, military, and other applications. Limited onboard energy reserves hinder their adoption in large-scale resource-constrained environments, where recharging is a necessity. It may be infeasible to install a network of static charging stations in off-road environments. For this reason, dedicated mobile host vehicles with charging capabilities are proposed as a means to increase range and capabilities of the multivehicle team. Here, in this study, we consider an ad hoc planning framework, where results from a high-confidence trajectory planner are leveraged to plan charging rendezvous between a host and other worker vehicles in a receding horizon fashion to provide high confidence that energy reserves will not be prematurely exhausted. The core problem is posed so as to minimize the impact of recharging on the mission in terms of task delays, overall energy utilization, and costs of fast charging. Through extensive Monte Carlo simulations of an off-road mission, we show a decrease in task delays without substantial increases in energy needs by updating the charging rendezvous plan during the mission. However, if updates are made too often, model mismatch may cause unnecessary cycling and mission failure.

Energy constraints↗
DOE OSTI2020

ADPSM Learning Team Review 2015-001. NPI-7 Drum/POC Dropped – Leads to Improved Lifting

As part of the ADPSM Safety Improvement Plan, the WSST has established a subcommittee for a Learning Team. The purpose of a Learning Team is to transfer and communicate the information into operational feedback and improvement. We want to pay attention to the small things that go wrong because they are often early warning signals and may provide insight into the health of the whole system.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2020

Systematic Calculation of Pu Pourbaix Diagrams: Modelling Support for the LANL ACRSP Team

The report enclosed entitled “Systematic Calculation of Pu Pourbaix Diagrams: Modelling Support of the LANL ACRSP Team” was prepared by Amphos21 under contract to the Los Alamos National Laboratory Actinide Chemistry and Repository Science Program (ACRSP) team to support an enhanced understanding of the actinide and brine chemistry in the Waste Isolation Pilot Plant (WIPP) transuranic repository. In this report, the ThermoChimie chemistry model and database, with some slight modifications, were used to calculate Pourbaix diagrams to investigate the effects of ionic strength, organic complexation, and metal competition on the predominance diagrams for aqueous and solid plutonium species under the anoxic and reducing conditions expected in the repository. These diagrams were connected to iron chemistry phase diagrams since this iron chemistry is expected to define and control redox properties in the WIPP repository concept.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

MEITNER Resource Team Modeling and Simulation Support to Holos-Quad Reactor Development (Final CRADA Report)

The main objective of this CRADA is to provide Argonne National Laboratory (ANL)’s modeling and simulation capabilities via ARPA-E's MEITNER (Modeling-Enhanced Innovations Trailblazing Nuclear Energy Reinvigoration) Resource Team (RT) arrangement to support the demonstration of the viability of HolosGen’s Holos-Quad reactor design. The Holos-Quad reactor design is an advanced reactor concept that incorporates many new design features, such as the neutron-coupled Subcritical Power Modules (SPMs) in its core design, elimination of balance of plant (BOP) by direct integration of a helium Brayton cycle power conversion system with each SPM, among many other innovative features. The demonstration of the viability of such an innovative reactor design warrants iterations of modeling and simulation and testing. The purpose of this project is to utilize ANL’s modeling and simulation capabilities in nuclear reactor analysis and power conversion system analysis to inform HolosGen and the Design Team (DT) in the design and optimization of the Holos-Quad concept. The major work scopes of this project include: to investigate conceptual designs and materials for radiation shielding to protect personnel and internal components such as turbomachinery; Assess the the helium Brayton cycle power conversion system performance in both nominal and load following conditions; Investigate power conversion components and overall system performance; Identify control strategies to enable load following; Perform simulations of HolosGen’s subscale simulator and using available test data for code validation/benchmark purpose; Perform core thermal-hydraulics, safety analysis, and structural analysis.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Towards Exascale Astrophysics of Mergers and Supernovae (TEAMS)

The major goals of the TEAMS project are (i) to improve the modeling of many of the suggested astrophysical sites of the r‐process, as well as some potential p‐process sites, (ii) to use our models to support and guide the experimental efforts at FRIB and similar facilities, and (iii) to use our tools to cement our understanding of the roles that massive stars play in galactic chemical evolution. As part of the TEAMS project, Mezzacappa (UTK, Reddy (UW), Surman (ND), and Steiner (UTK) are (i) generating equations of state and neutrino opacities for simulations of core‐collapse supernovae and neutron star mergers which are more faithful to current understanding of the nucleon‐nucleon interaction, (ii) integrating those new equations of state and neutrino opacities into new simulation codes being developed, (iii) performing detailed nuclear reaction network post‐processing to determine abundances from simulations and (iv) quantifying the impact of nuclear physics uncertainties on r‐process abundances.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Towards Exascale Astrophysics of Mergers and Supernovae (TEAMS)

The TEAMS project brought together cutting-edge simulations, theoretical insights, and collaborative efforts to deepen our understanding of some of the universe’s most extreme phenomena—supernovae, neutron star mergers, and the powerful signals they emit. Using one of the largest suites of 3D supernova simulations ever conducted, researchers uncovered new insights into how massive stars explode, how those explosions vary by stellar mass, and what conditions lead to the birth of neutron stars or black holes. They also studied the radiation and gravitational wave signals emitted during these events, revealing how future observations can be used to uncover what happens deep inside collapsing stars. The team developed improved tools for modeling how light and neutrinos behave in such explosive environments, enabling more accurate predictions of what astronomers might observe. Work also explored how the chemical composition and geometry of kilonovae—the visible explosions that follow neutron star mergers—influence their signals and can reveal the origins of heavy elements like gold. These efforts not only advanced scientific knowledge, but also trained a new generation of researchers at the intersection of astrophysics, computational science, and nuclear theory.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Fermilab 2025 Summer Internship: Repairing Pre-Amplifiers with Mu2e Electronics Installation Team

The author spent nine weeks over summer 2025 working on the tracker electronics installation team for the Mu2e experiment. One of her main responsibilities was repairing high voltage (HV) and calibration (Cal) pre-amplifiers (pre-amps). During installation, the fragile wires connecting the two sockets to the pre-amp board must be bent, often leading to breakage. During production, the sockets and wires were initially soldered to the board at UC Berkely, then the whole pre-amp was coated in parylene before transport to Fermilab. The interns were able to expedite the repairs, and thus whole installation process, by using an alternative method on-site with epoxy. Another task they were responsible for, not included in the original project specifications, was attaching copper clips to specific vias on the Cals to reduce noise. The talk will give listeners insight into the daily problem-solving required by the novel technologies in the Mu2e project. The author would like to acknowledge her fellow Monmouth College undergraduate interns, Lizzie Durfee and Gianna Maughan, advisor and PI of the DOE RENEW Grant Dr. Christopher G. Fasano, and the Mu2e team lead by co-spokesperson Dr. Bob Bernstein and tracker L2 manager Dr. Brendan Kiburg.

de Zwart, Bronte [Monmouth Coll.]↗
DOE OSTI2026

Setting Priorities: A Process Improvement Study to Achieve Greater Team Efficiency.

This report details a comprehensive process improvement study designed to optimize team efficiency and strategic focus within an Identity and Access Management (IAM) technical unit at Los Alamos National Laboratory (LANL). Faced with a high volume of operational support and a fragmented project landscape, the team experienced "capacity fatigue" and delivery times extending into years.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2023

Resource Team Annual Report FY23

This report outlines the accomplishment of the Resource Team program in FY23, and discusses closeout of the program following this FY

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Assembling an Effective Team for Renewable Generation and Storage Projects

On-site renewable generation and storage systems have piqued the interest of facility owners to substantially reduce their energy costs and environmental footprint. Assembling an effective team before the project begins can streamline the implementation of these systems and ensure that the design, installation, and operation of the system are well aligned with the needs of the facility owner. To inform this process, this resource will provide three specific guidelines: Guideline 1: Identify common skillsets in renewable energy and storage projects; Guideline 2: Decide who will fill these skillsets, internally and externally; and Guideline 3: Recognize additional project considerations to ensure cost-effectiveness, increased resiliency, and contribution to both electrification and decarbonization goals.

ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION↗
DOE OSTI2025

Modeling Protein–Protein and Protein–Ligand Interactions by the ClusPro Team in CASP16

ABSTRACT In the CASP16 experiment, our team employed hybrid computational strategies to predict both protein–protein and protein–ligand complex structures. For protein–protein docking, we combined physics‐based sampling—using ClusPro FFT docking and molecular dynamics—with AlphaFold (AF)‐based sampling, followed by AF‐based refinement. Our method produced numerous high‐accuracy complex models, including cases where AF alone failed, underscoring the critical role of physics‐based sampling alongside deep learning‐based refinement. For protein–ligand docking, we integrated the ClusPro LigTBM template‐based approach with a machine learning‐based confidence model for rescoring. The method preserves conserved interaction fragments derived from homologous complexes, followed by local resampling using physics‐based sampling and a diffusion model. Our template‐based strategy achieved a mean lDDT‐PLI of 0.69 across 233 targets, which was highly competitive. These results demonstrate that combining physics‐based modeling with AI‐driven refinement can significantly enhance the accuracy of both protein–protein and protein–ligand structure predictions.

Ashizawa, Ryota [Department of Applied Mathematics↗