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DOE OSTI2026

The Road to Useful Quantum Computers

Building a useful quantum computer is a grand science and engineering challenge, currently pursued intensely by teams around the world. In the 1980s, Richard Feynman and Yuri Manin observed independently that computers based on quantum mechanics might enable better simulations of quantum phenomena. Their vision remained an intellectual curiosity until Peter Shor published his famous quantum algorithm for integer factoring, and shortly thereafter a proof that errors in quantum computations can be corrected. Since then, quantum computing R&D has progressed rapidly, from small-scale experiments in university physics laboratories to well-funded industrial efforts and prototypes. Hype notwithstanding, quantum computers have yet to solve scientifically or practically important problems -- a target often called quantum utility. In this article, we describe the capabilities of contemporary quantum computers, compare them to the requirements of quantum utility, and illustrate how to track progress from today to utility. We highlight key science and engineering challenges on the road to quantum utility, touching on relevant aspects of our own research.

Emerging Technologies (cs.ET)↗

DOE OSTI2026

Fostering Computational Thinking within Elementary Classrooms through a Research-Practice Partnership: A Strategy for Broadening Participation in Computer Science

This paper describes a research-practice partnership involving twenty elementary teachers and a support team of university researchers and K-12 learning specialists. Over five years, the partnership explored ways to highlight and to expand computational thinking within math and science instruction. The project sought to increase student awareness, confidence, and fluency with computational thinking as a problem-solving approach, with particular attention to students from groups historically underrepresented in computer science. Based on feedback from across the partnership – together with analysis of student attitude and problem-solving data – this experience report identifies successes, challenges, and recommendations for future study.

Broadening participation↗

DOE OSTI2024

The Data Mine model for accessible partnerships in data science

Abstract The Data Mine at Purdue University is a pioneering experiential learning community for undergraduate and graduate students of any background to learn data science. The first data‐intensive experience embedded in a large learning community, The Data Mine had nearly 1300 students in academic year (AY) 2022–2023 and nearly 1700 students for AY 2023–2024. The Data Mine embodies data‐infused education, research, and collaboration. Students learn Python, R, SQL, and shell‐scripting, while working on weekly projects within a high‐performance computing (HPC) cluster. In the Corporate Partners cohort, students work on teams of 5–15 students, led by a paid student team leader. Each cohort follows an Agile approach, working on data‐intensive projects provided by industry partners and mentored by company employees. Students develop professional and data skills throughout the academic year, from August through April. Many students return in subsequent years to the program, increasing their tenure with a Corporate Partner. Student teams are inherently interdisciplinary; students from 133 different majors are involved in the program, ranging from new incoming students through PhD level students. These interdisciplinary teams of students bring new perspectives to challenging problems in which data science is a key part of the solution. The interdisciplinary teams foster an environment of synthesis with ideas and solutions. Students come together with different life experiences, different levels of technical skill, but also varying ways they navigate paths to solutions because of the variety of majors represented, resulting in a more creative and robust solution than a traditional data science program. This article is categorized under: Applications of Computational Statistics > Education in Computational Statistics

Betz, Margaret A.↗

DOE OSTI2025

Retrospective on decadal progress of the NOAA/NPS ocean noise reference station network

The National Oceanic and Atmospheric Administration (NOAA), in partnership with the U.S. National Park Service (NPS), established the Ocean Noise Reference Station Network (NRS) in 2014 as a foundational component of NOAA’s Ocean Noise Strategy. This long-term effort aims to characterize baseline ocean ambient sound conditions across diverse marine environments and to inform management of noise impacts on protected species and habitats within U.S. waters. The NRS is now composed of 13 autonomous passive acoustic monitoring stations strategically positioned across the U.S. Exclusive Economic Zone (EEZ), extending from Arctic regions to tropical waters in depths ranging from 33 to 4,790 m. These locations include several National Marine Sanctuaries and National Parks, such as the recently designated Chumash Heritage National Marine Sanctuary off the coast of California. Each station is equipped to continuously sample low-frequency underwater sound at five kHz, enabling the detection of anthropogenic, geophysical, and biological acoustic signals. To date the network has sampled over 72 years of calibrated acoustic data. The spatial breadth and consistent methodology of the NRS allow for comparative acoustic assessments across diverse marine ecosystems. In addition to applied research functions, the NRS has served as a platform for education and training, offering opportunities for students to develop skills for marine science and data analysis. Looking forward, the NRS project team is focused on network expansion, improved data delivery, and broader integration with collaborative scientific initiatives. NRS recordings are being archived in partnership with NOAA’s National Centers for Environmental Information to enhance accessibility and long-term utility. Efforts are underway to develop standardized metadata and summary products to accompany raw audio files, making the data more usable for a wide range of stakeholders in the ocean science community. The NRS is evolving into a fully integrated national framework for ocean sound monitoring that supports scientific inquiry, management decision-making, national security interests, and public engagement with ocean acoustic environments.

Long-term monitoring↗

DOE OSTI2022

CRADA Number NFE-19-07867 with Neptune Fluid Flow Systems (CRADA Final Report)

Neptune Fluid Flow Systems is a rising engineering firm with a technology focus in improving cryogenic sample preparation for cryogenic-transmission electron microscopy (cryo-TEM) studies. To advance the R&D of its innovative cryogenic preparation method, Neptune has teamed up with the Center for Nanophase Materials Science (CNMS) at Oak Ridge National Laboratory (ORNL) to achieve the following aims: (1) validate the technical feasibility of CryoSheet sample prep method, (2) design, fabricate and test the cryo-stage support, and (3) experiment and achieve success with the novel sample preparation method on different soft matters.

36 MATERIALS SCIENCE↗

DOE OSTI2024

DOE BSSD Performance Management Metrics Report Q1

Microbes play key roles in our biosphere, from driving global nutrient cycling to impacting plant, animal and human health and disease. Complex data from microbial genomes, proteins, and metabolites provide a window into these tiny engines that drive life on our planet. Yet these data are dispersed among researchers’ laboratories and various repositories, making it difficult to access. This calls for new ways of managing data, improving data interoperability, advancing community standards, and creating an infrastructure where data are shared efficiently. We have built the National Microbiome Data Collaborative (NMDC) to advance how scientists create, use, and reuse data to redefine the way we understand and harness the power of microbes. The vision of the National Microbiome Data Collaborative (NMDC) is to drive a microbiome data sharing network connecting data, people, and ideas to advance microbiome innovation and discovery. The NMDC was launched in 2019 and brought together DOE National Laboratories to collaborate across resources, capabilities, and expertise. The NMDC team was strategically assembled to include software developers, microbial researchers, metadata experts, and multi-omics specialists. The diversity of the NMDC team reflects the inherently interdisciplinary nature of microbiome science, and we leverage the strengths of the DOE National Laboratory system. Towards BER’s goal of advancing an iterative systems biology approach to the understanding of microbial genomes, the NMDC serves as a foundation for infrastructure, data standards, and community building. Together with the flagship DOE User Facilities, the Joint Genome Institute (JGI) and the Environmental Molecular Sciences Laboratory (EMSL), we are developing core capabilities in metadata standards for environmental descriptors and sample handling and processing; standardized bioinformatic workflows; an interface for data search and access; and robust community engagement activities. The NMDC production platform supports long-term data infrastructure and community building for BER’s bioenergy and environmental research goals. Our approach leverages lessons learned and an ambitious framework for collaborative, interdisciplinary data infrastructure to support microbiome research. The NMDC supports data, information, and knowledge access through three defined software tools – the Submission Portal, NMDC EDGE, and the Data Portal – driven by community needs. Herein, we describe the value proposition for the microbiome research community, our overarching strategy, and challenges and opportunities for developing the NMDC as both an infrastructure and community engagement program.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Workflows for Science: A comprehensive guide for ensemble workflow tools usage with applications on OLCF systems

The growing demand for robust computational and workflow environments for scientific applications and user communities at the Oak Ridge Leadership Computing Facility (OLCF) has prompted collaboration with ensemble tools development teams and facility users to produce this technical paper. We connect science applications to the RADICAL-Pilot (RP) workflow tool to execute ensemble instantiations using the Frontier supercomputer. The documented installation, usage, and execution demonstrates how RP streamlines scientific workflows at OLCF. We outline the specific steps OLCF users can follow to integrate this tool with their applications and advance their research. This document stands as a comprehensive guide to OLCF users of ensemble workflow tools with examples on real applications using the Frontier supercomputer.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Recommended Target Fields for Commissioning the Vera C. Rubin Observatory

The commissioning team for the Vera C. Rubin observatory is planning a set of engineering and science verification observations with the Legacy Survey of Space and Time (LSST) commissioning camera and then the Rubin Observatory LSST Camera. The time frame for these observations is not yet fixed, and the commissioning team will have flexibility in selecting fields to observe. In this document, the Dark Energy Science Collaboration (DESC) Commissioning Working Group presents a prioritized list of target fields appropriate for testing various aspects of DESC-relevant science performance, grouped by season for visibility from Rubin Observatory at Cerro Pachon. Our recommended fields include Deep-Drilling fields (DDFs) to full LSST depth for photo-$z$ and shape calibration purposes, HST imaging fields to full depth for deblending studies, and an $\sim$200 square degree area to 1-year depth in several filters for higher-level validation of wide-area science cases for DESC. We also anticipate that commissioning observations will be needed for template building for transient science over a broad RA range. We include detailed descriptions of our recommended fields along with associated references. We are optimistic that this document will continue to be useful during LSST operations, as it provides a comprehensive list of overlapping data-sets and the references describing them.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

Research Software Engineering at Oak Ridge National Laboratory

Research software engineers (RSE) play a vital role in scientific discoveries worldwide. They lead the core development of the applications, libraries, and tools that enable today’s supercomputers to process the vast volumes of data generated from the world’s most extensive and complicated scientific instruments and facilities. This article describes the mission, culture, and practices of RSE teams at Oak Ridge National Laboratory (ORNL), including their team dynamics and composition, work ethics, standard practices, and ever-evolving skill sets vital to pursuing scientific innovations and implementing novel ideas. We describe the lessons learned from specific activities that contribute to shaping the identity and growth of RSE roles at ORNL. Lastly, we provide our view for the near future on effective strategies for establishing, leading, and nurturing RSE teams and building a thriving community in collaboration with science stakeholders.

42 ENGINEERING↗

DOE OSTI2020

Team Dynamics and Development in Chemical Emergency Response

This presentation is focused on Team Dynamics and Development in Chemical Emergency Response. While regulatory requirements focus on defining the performance requirements associated with this category of response team, there is very little information and guidance provided to team leaders on the criticality of team dynamics of development in performance. These elements are essential to achieving successfully integrated team operations. NREL has worked to expand chemical response team participation to include operational personnel from research, support operations, and various technical areas. Since this team expansion has encompassed integration from numerous levels and areas within the organization, a systematic approach was adopted to better understand how organization culture, dynamics, and diversity can be used to be more effective. Benchmarking other organizations and reviewing relevant literature assisted in laying the foundation to develop a strategy that incorporates team development principles, dynamics, and leadership practices to increase the effectiveness of emergency response operations. This presentation focuses on the valuable lessons learned and the team-based approaches that can be used to develop a successful response team.

emergency response↗

DOE OSTI2022

The Future of Building Science Education with the U.S. Department of Energy Solar Decathlon: Preprint

Experience the future of Building Science Education with the U.S. Department of Energy Solar Decathlon, from community-focused designs to real-life innovative zero energy buildings constructed by students. In this paper, we will introduce the Solar Decathlon programs and a reimagined Building Science Education curriculum that is transforming education to inspire future building design professionals and bring sustainable, equitable design and construction strategies to the real world. The Solar Decathlon is a collegiate-level building design competition that challenges students in 10 Contests, from embodied environmental impact to affordability and resilience. We will cover the structure of the competition and its two Challenges - the Build Challenge and the Design Challenge - as well as additional programs that impact all aspects of the buildings industry. These programs include the Solar Decathlon Building Science Education course, a free online video series that provides students and working professionals with building science fundamentals; the Design Partners Program, which connects innovative student design teams and local building owners seeking low-risk, low-cost opportunities to incorporate sustainable design alternatives into their building portfolio; and Solar Decathlon Pro, a program piloted in 2021 that brings Solar Decathlon resources to design professionals. The Solar Decathlon's effective approach to bringing real-world solutions to building science empowers future professionals to do impactful work.

buildings↗

DOE OSTI2024

A Cast of Thousands: How the IDEAS Productivity Project Has Advanced Software Productivity and Sustainability

Computational and data-enabled science and engineering are revolutionizing advances throughout science and society, at all scales of computing. For example, teams in the U.S. Department of Energy’s Exascale Computing Project have been tackling new frontiers in modeling, simulation, and analysis by exploiting unprecedented exascale computing capabilities—building an advanced software ecosystem that supports next-generation applications and addresses disruptive changes in computer architectures. However, concerns are growing about the productivity of the developers of scientific software. Members of the Interoperable Design of Extreme-scale Application Software project serve as catalysts to address these challenges through fostering software communities, incubating and curating methodologies and resources, and disseminating knowledge to advance developer productivity and software sustainability. This article discusses how these synergistic activities are advancing scientific discovery—mitigating technical risks by building a firmer foundation for reproducible, sustainable science at all scales of computing, from laptops to clusters to exascale and beyond.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Reactor System Demonstration with Cyber-Attack Scenarios Using CrowPis and Arduino Microcontrollers

This study covers developing and simulating nuclear reactor system using CrowPis and Arduino microcontrollers for demonstrating cyber-attack scenarios. The team was tasked with implementing more sensors and cybersecurity aspects to the reactor program that was created by last year’s high school interns. The team received the opportunity to collaborate and obtain advice from multiple university interns that helped us gain a better perspective of our project. Our mentor’s background in nuclear science was pivotal to our understanding what we could add to the reactor program to make it as realistic as possible. The first week of our internship was spent reading as much material as possible to gain an understanding of and the background for cyber-attacks and nuclear science. Nuclear science was a new horizon for each of the high school interns on the team, so spending this time in the beginning of our internship was crucial to our success. For the remaining portion of our internship, the team collectively did our best to implement as many sensors and use as much hardware as we could to make an accurate representation of a nuclear reactor in the program that was created. This internship was a big learning experience for everyone on the team. We all gained so many insights into the nuclear world and how it can benefit our lives, as well as how so many moving pieces are needed for it to work properly.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2022

LaserNetUS Collaboration Network—University of Rochester (Final Report)

LaserNetUS Collaborative Network established in 2018 is a network of high-power laser facilities supported by the Department of Energy (DOE) Office of Fusion Energy Sciences (FES) and operating effectively as a user facility. Its mission is to advance and promote intense laser science and applications by providing scientists and students with broad access to unique facilities and enabling technologies, advancing the frontiers of laser-science research, and fostering collaboration among researchers and networks from around the world. Users who submit proposals through an annual call are selected by an external and independent proposal review panel (PRP) not involving personnel from any of the facilities. Besides the Omega Laser Facility at the University of Rochester’s Laboratory for Laser Energetics (UR/LLE), the network during this project period includes high-intensity laser facilities from six other universities and three national laboratories, namely, the Colorado State University (CSU), the University of Michigan (UM), the University of Nebraska at Lincoln (UNL), The Ohio State University (OSU), Université du Québec, the University of Texas at Austin (UT Austin), Lawrence Berkeley National Laboratory (LBNL), SLAC National Accelerator Laboratory (SLAC) and Lawrence Livermore National Laboratory (LLNL), respectively. The network facilities span a wide range in laser pulse energy, pulse duration, repetition rate, and experimental diagnostic equipment enabling innovative research in a variety of exciting areas. Details of the LaserNetUS facilities, organization and committees, events, and accomplishments can be found at the network website (https://lasernetus.org/). A very important role that the LaserNetUS fulfills is the training of students and young scientists who will be key for the future development of laser-plasma science and high-power laser technology itself. The network provides these students not only with access to the most advanced instrumentation and laser facilities, but also the opportunities to interact and collaborate with students from other institutions and with a large group of experienced scientists. As the largest university-based laser users’ facility in the world, the Omega Laser Facility at the UR/LLE has served the high-energy-density physics (HEDP) and inertial fusion science community for nearly 40 years. The multi-beam multi-kJ OMEGA EP Laser System brings unique capabilities to the LaserNetUS network. The combination of high intensity and high energy in short- and long-pulse operation together with solid or gas-jet targets and externally applied magnetic fields provides users a wide domain of experimental conditions. This award provides a total of eight shot days on OMEGA EP for LaserNetUS users. During the award period of performance (June 2019–November 2021), seven teams have fully utilized the eight shot days for their unique science experiments on OMEGA EP with a total of 83 target shots. These experiments involve 13 graduate students, two undergraduate students and six postdoctoral researchers. Results have been widely disseminated at international conferences including LaserNetUS annual meeting (~20 presentations including three invited), and in peer-reviewed journal publications (three published with several manuscripts in preparation).

36 MATERIALS SCIENCE↗

DOE OSTI2024

Overview, Progress and Next Steps for Our Understanding of the Near-Earth Space Radiation and Plasma Environment: Science and Applications

The Near-Earth Space Radiation and Plasma Environment falls within the realm of G3 Cluster (G3 refers to ‘Near-Earth Radiation and Plasma Environment’ of the ‘Coupled Geospace System’) under the COSPAR (Committee On Space Research) /International Space Weather Action Teams (ISWAT) Initiative. The diverse and dynamic particle populations from this region pose challenges from both science and space weather-impact perspectives. The G3 cluster has intimate connections with solar, heliosphere clusters, and the other Geospace ones (G1, G2) through a chain of physical processes. This paper reviews recent scientific advances in understanding this complex space environment, identifies gaps in research and space weather applications, and maps out our recommendations on priorities for the next 5-10 years.

Zheng, Yihua↗

DOE OSTI2025

Pivotal trial characteristics and types of endpoints used to support Food and Drug Administration rare disease drug approvals between 2013 and 2022

Background/aims Rare disease drug development faces unique challenges, such as genotypic and phenotypic heterogeneity within small patient populations and a lack of established outcome measures for conditions without previously successful drug development programs. These challenges complicate the process of selecting the appropriate trial endpoints and conducting clinical trials in rare diseases. In this descriptive study, we examined novel drug approvals for non-oncologic rare diseases by the U.S. Food and Drug Administration’s Center for Drug Evaluation and Research over the past decade and characterized key regulatory and trial design elements with a focus on the primary efficacy endpoint utilized as the basis of approval. Methods Using the Food and Drug Administration’s Data Analysis Search Host database, we identified novel new drug applications and biologics license applications with orphan drug designation that were approved between 2013 and 2022 for non-oncologic indications. From Food and Drug Administration review documents and other external databases, we examined characteristics of pivotal trials for the included drugs, such as therapeutic area, trial design, and type of primary efficacy endpoints. Differences in trial design elements associated with primary efficacy endpoint type were assessed such as randomization and blinding. Then, we summarized the primary efficacy endpoint types utilized in pivotal trials by therapeutic area, approval pathway, and whether the disease etiology is well defined. Results One hundred and seven drugs that met our inclusion criteria were approved between 2013 and 2022. Assessment of the 107 drug development programs identified 150 pivotal trials that were subsequently analyzed. The pivotal trials were mostly randomized (80%) and blinded (69.3%). Biomarkers (41.1%) and clinical outcomes (42.1%) were commonly utilized as primary efficacy endpoints. Analysis of the use of clinical trial design elements across trials that utilized biomarkers, clinical outcomes, or composite endpoints did not reveal statistically significant differences. The choice of primary efficacy endpoint varied by the drug’s therapeutic area, approval pathway, and whether the indicated disease etiology was well defined. For example, biomarkers were commonly selected as primary efficacy endpoints in hematology drug approvals (70.6%), whereas clinical outcomes were commonly selected in neurology drug approvals (69.6%). Further, if the disease etiology was well defined, biomarkers were more commonly used as primary efficacy endpoints in pivotal trials (44.7%) than if the disease etiology was not well defined (27.3%). Discussion In the past 10 years, numerous novel drugs have been approved to treat non-oncologic rare diseases in various therapeutic areas. To demonstrate their efficacy for regulatory approval, biomarkers and clinical outcomes were commonly utilized as primary efficacy endpoints. Biomarkers were not only frequently used as surrogate efficacy endpoints in accelerated approvals, but also in traditionally approved rare disease drugs. The choice of primary efficacy endpoints varied by therapeutic area, approval pathway, and understanding of disease etiology.

Hong, Kyungwan [Rare Diseases Team, Office of New ↗

DOE OSTI2025

Argonne Leadership Computing Facility 2024 Operational Assessment Report

This Operational Assessment Report describes how the Argonne Leadership Computing Facility (ALCF) met or exceeded every goal set by DOE for the calendar year (CY) 2024. In CY 2024, the ALCF operated Polaris, an AMD and NVIDIA-based Hewlett Packard Enterprise (HPE) Apollo 6500 Gen10+ system that provides a powerful platform for breakthrough science and prepares applications and workloads for Aurora, Argonne National Laboratory’s Intel-HPE exascale computer. Since going into production in August 2022, Polaris has supported research teams from the DOE Exascale Computing Project (ECP), which concluded in 2024, and from ALCF’s Aurora Early Science Program (ESP). Polaris delivered a total of 2555.7K node-hours to 17 Innovative and Novel Computational Impact on Theory and Experiment (INCITE) 2024 projects and 601.6K node-hours to ASCR Leadership Computing Challenge (ALCC) projects (12 of which were awarded during the 2023–2024 ALCC year and 11 of which were awarded during the 2024–2025 ALCC year), as well as providing substantial time for Director’s Discretionary (DD) projects (966.2K node-hours). As Table ES.1 shows, Polaris performed exceptionally well in terms of overall availability (97.7 percent), scheduled availability (99.6 percent), and utilization (94.7 percent; Table 2.1). In CY 2024, ALCF supported more than 2,000 users. As of March 18, 2025, ALCF’s users have published 254 papers in peer-reviewed journals and technical proceedings.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

DARPA beyond CMOS RFI

The Lawrence Livermore National Laboratory Center for Micro and Nanotechnology (CMNT) is located on the LLNL campus in Livermore, CA. LLNL employs over 7000 employees with a broad range of science and engineering backgrounds with an administrative structure that encourages multidisciplinary teaming, a key ingredient in our ability to address diverse technical problems. Our CMNT facility houses a 6,400 ft 2 class 100 cleanroom (class 10 capable) with an additional 1,000 ft 2 Class 1000 space, and 6000 ft 2 of other laboratories. Most equipment can accommodate 6” wafers, although some is limited to 4”. The CMNT is a multi-user, multi-programmatic facility that offers a broad set of instruments for microfabrication to invent, develop, and apply microscale and nanoscale technologies to support national security missions in Stockpile Stewardship, Homeland Security, Directed Energy, Nonproliferation, biomedical research, and more. The research and capabilities of the Center cover materials, devices, instruments, and systems that require microfabricated components, including microelectromechanical systems (MEMS), electronics, photonics, micro- and nanostructures, bio-implantable devices, and micro- and nanoactuators.

42 ENGINEERING↗