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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Topics and Considerations for Developing State Geothermal Regulations

The intent of this document is to provide guidance to states for developing geothermal regulations that would be inclusive of all geothermal technologies (e.g., conventional and non-conventional power production and direct-use applications) with applicability in all states. As part of this project, the NREL project team reviewed and catalogued existing state and federal geothermal regulations, compiled best practices from geothermal and other extractive industries, and established a Geothermal Regulatory Stakeholder Working Group (SWG) to advise and review the geothermal regulatory guidance. The SWG met approximately monthly over the course of one year to review and discuss specific topics as relevant to this geothermal regulatory guidance. This report is broken into five main sections, which were identified in coordination with the SWG as the main topics for inclusion. Within these sections, a list of considerations within each category were identified and, in some cases, relevant examples from existing state and federal geothermal regulations are included to further illustrate the proposed considerations. This report includes the following topics: 1) Geothermal Resource Definition; 2) Leasing process; 3) Exploration approval process; 4) Drilling/wellfield development approval process; 5) Underground injection control process In addition, a list of 'key considerations' summarized from this report are included below. This list is not meant to be exhaustive as each state's regulatory landscape is unique, rather these are meant to be concepts that can be considered when developing and/or updating existing geothermal regulations.

drilling↗
DOE OSTI2025

Using a Large Language Model as a Building Block to Generate Usable Validation and Verification Suite for OpenMP

In the HPC area, both hardware and software move quickly. Often new hardware is developed and deployed, the corresponding software stack, including compilers and other tools, are under active development while leading edge software developers are working to port and tune their applications, all at the same time. While the software ecosystem is in flux, one of the key challenges for users is obtaining insight into the state of implementation of key features in the programming languages and models their applications are using – whether they have been implemented, and whether the implementation conforms to the specification, especially for newly implemented features (less tested by widespread use). OpenMP is one of the most prominent shared memory programming models used for on-node programming in HPC. With the shift towards accelerators (such as GPUs and FPGAs) and heterogeneous programming OpenMP features are getting more complex. It is natural to ask whether generative AI approaches, and large language models (LLMs) in particular, can help in producing validation and verification test suites to allow users better and faster insights into the availability and correctness of OpenMP features of interest. In this work, we explore the use of ChatGPT-4 to generate a suite of tests for OpenMP features. We have chosen a set of directives and clauses, a total of 78 combinations, which first appeared in OpenMP 3.0 (released in May 2008) but are also relevant for accelerators. We prompted ChatGPT to generate tests in the C and Fortran languages, for both host (CPU) and device (accelerator). On the Summit super-computer using the GNU implementation, we found that, of the 78 generated tests 67 C tests and 43 Fortran tests compiled successfully and fewer than those executed to completion. On further analysis we show that not all generated tests are valid. We document the process, results, and provide detailed analysis regarding the quality of tests generated. With the aim of providing input to a production quality validation and verification suite, we manually implement the corrections required to make the tests valid according to the current OpenMP specification. We quantify this effort as small, medium, or large, and record the lines of code changed to correct the invalid tests. With the corrected tests we validate recent implementations from HPE, AMD, and GNU on the Frontier supercomputer. Our experiment and subsequent analysis show that although LLMs are capable of producing HPC specific codes, they are limited by their understanding of the deeper semantics and restrictions of programming models such as OpenMP. Unsurprisingly more commonly used features have better support, while some OpenMP 3.0 directives such as sections and tasking are not universally supported on accelerators. We demonstrate that successful compilation and execution to completion are inadequate metrics for evaluating generated code and that, at this time, commodity LLMs require expert intervention for code verification. This points to gaps in the training data that is currently available for HPC. We demonstrate that with "small" effort 37% of generated invalid C tests and 63% of generated invalid Fortran tests could be corrected. This improves productivity of test generation as we circumvent writing from scratch and the common programming errors associated with it.

Pophale, Swaroop [ORNL] (ORCID:0000000185446367)↗
DOE OSTI2022

Energy Exascale Earth System Model v2.0.2

Second patch release of v2.0.0 Changes since v2.0.1 [Important change] Add and update SSP370 and SSP585 cases, add tests, fix use-case files, Change ocean and sea-ice IC for ARRM60to10. [EAM] allow thetaxx as a CAM_TARGET, enable northamericax4v1pg2_WC14to60E2r3 for AMIP, fix ndrop initialization, allow up to 15 history files. [EAMxx] allow use of readnl [EAM-MMF] allow transient SST case for C++ MMF, remove specific task/thread count for ESMT test, modify the variance transport diagnostic, reorg tests, [HOMME] Allow optional sponge layer. [ELM] add 2 land-atm compsets, update FATES to API 17.0.0, allow FATES sp mode, allow ELM harvest to drive FATES harvest, fix memleaks, reduce test build times, modified parameters for miscanthus and switchgrass based on calibration [MPAS-Ocean] turn on ocean BGC in BGC cases, fix interface locations for 60L PHC grid, add mode spec to conservation check streams, allow oRRS18to6v3 grid to run with JRA, update ocean and sea ice ICs for ARRM60to10 (needed for v2), GPU port of thickness tendency, add CMPASO-JRA1p4, [MPAS framework] Add new reproducible global sum module for MPAS components, Add mostRecentAccessTime attribute to streams [MPAS-landice] Update MALI version and Greenland mesh [MPAS-seaice] add single-cell test case, fix BGC restart, Adds omp critical directives for ice warnings seen on cori. [CIME] Fix component namelist creation bugs when NINST>1, add OpenACC, OpenMP and CXX GPU tests, fix nonBFB tests, stop using config_compilers, reduce ELM test build times with shared executable, update OpenMPI on Chrysalis. fix baseline handling, provenance handling with update to cime6.0.33, also use component-specific config_pes files and add the ones from master [Machine updates] cori modules after maint, Chrysalis to OpenMPI-4.1.3 [run_e3sm] replace default case name and group. [Externals] update SCORPIO to 1.3.2

ECP↗
DOE OSTI2020

Alaska North Slope 2018 Hydrate-01 Stratigraphic Test Well: Technical Results

The Hydrate-01 Stratigraphic Test Well was drilled in December 2018 to confirm that a seismically-identified location within the western Prudhoe Bay Unit might be suitable for extended-duration scientific production testing. The well featured the acquisition of a full suite of logging-while-drilling data, collection of side-wall pressure cores, and installation of distributed temperature and distributed acoustic sensor (DTS, DAS) fiber-optic cables. Evaluation of the logging-while-drilling data confirms gas hydrate is present at high saturation in two target sands of high reservoir quality. Acquired logs and samples enable critical petrophysical information to be compiled for input into production models. The well tested two primary targets: the deeper Unit B is highly favorable due to optimal reservoir temperature and minimal observed risk for direct communication with permeable, hydrate-free water-bearing zones. The shallower Unit D provides a secondary target and opportunity to

Boswell, Ray↗
DOE OSTI2023

NbTaV_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution ternary alloys niobium-tantalum-vanadium (Nb-Ta-V). The first-principle code that has been used to run the calculations is the closed-source Vienna Ab-Initio Simulation Package (VASP). The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 8. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 10,500 randomized atomic structures over 105 chemical compositions. The calculations have been collected on NERSC-Perlmutter using the VASP 6.3.2. The VASP calculations for every atomic structure have been performed in 2 main steps: 1. Starting from an ideal body-centered-cubic (BCC) structure, geometry optimization with low precision has been executed to perform a preliminary optimization of the atomic structure. The output for this calculations is available in the files 0.CONTCAR, 0.OUTCAR, rlx1.out. 2. Using the atomic structure resulting from the preliminary geometry optimization, a second geometry optimization has been performed using normal precision. The output for this calculations is available in the files CONTCAR, OUTCAR, rlx2.out, vaspout.h5, and vasprun.xml. Every chemical composition sampled across the composition range in the dataset has its own directory. The convention used to name the directories for ternary alloys is AXBYCZ, where A, B, and C refer to the constituents, and X, Y, and Z are positive integers that represent the number of atoms for each constituent and their values still sum up to 128. Each atomic structure associated with a specific chemical composition has its own sub-directory within the directory of the corresponding chemical composition. The sub-directories for each atomic structure for each chemical composition are named 'case-*', where * is a positive integer that spans all the values from 1 through 100, extremes included. The files contained in each sub-directory 'case-*' for each atomic structure are as follows: 1. INCAR: input file that contains various parameters and settings for controlling the behavior of the electronic structure calculations 2. 0.POSCAR: input file that defines the atomic structure of a system 3. 0.CONTCAR: output file that provides the atomic positions and cell parameters after the first geometry optimization has been run with the precision variable set to PREC=Low in the INCAR file 4. 0.OUTCAR: output file that contains detailed information about the progress of a calculation after the first geometry optimization has been run with the precision variable set to PREC=Low in the INCAR file 5. rlx1.out: file with diagnostic information about the execution of the first geometry optimization with precision variable set to PREC=Low in the INCAR file 6. POSCAR: input file that defines the atomic structure of a system after the first geometry optimization has been run at low precision. This represents the input for the second geometry optimization run with the precision variable set to PREC=Normal in the INCAR file 7. CONTCAR: output file that provides the atomic positions and cell parameters after the second geometry optimization has been run with the precision variable set to PREC=Normal in the INCAR file 8. OUTCARL: output file that contains detailed information about the progress of a calculation after the second geometry optimization has been run with the precision variable set to PREC=Normal in the INCAR file 9. rlx2.out: file with diagnostic information about the execution of the second geometry optimization with precision variable set to PREC=Normal in the INCAR file 10. vaspout.h5: hierarchical HDF5 file containing the inputs and outputs of a VASP calculation. To analyze the data in this file we recommend using py4vasp. This file is only produced if the VASP version used is compiled with HDF5 support 11. vasprun.xml: contains similar information to OUTCAR, but in an xml format. This research is sponsored by the Artificial Intelligence Initiative as part of the Laboratory Directed Research and Development (LDRD) Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the US Department of Energy under contract DE-AC05-00OR22725. This work used resources of the Oak Ridge Leadership Computing Facility, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725, under Directorate Discretionary awards MAT025 (Materials Science) and LRN026 (Machine Learning), and INCITE award MAT201. This work also used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, under award ERCAP0025216.

36 MATERIALS SCIENCE↗
DOE OSTI2023

New constraints on sodium production in globular clusters from the Na 23 ( He 3 , d ) Mg 24 reaction

The star-to-star anticorrelation of sodium and oxygen is a defining feature of globular clusters, but, to date, the astrophysical site responsible for this unique chemical signature remains unknown. Sodium enrichment within these clusters depends sensitively on reaction rate of the sodium destroying reactions 23 Na(p, γ) and 23 Na(p,α). In this paper, we report the results of a 23 Na( 3 He,d) 24 Mg transfer reaction carried out at Triangle Universities Nuclear Laboratory using a 21 MeV 3 He beam. Astrophysically relevant states in 24 Mg between 11 < E x < 12 MeV were studied using high-resolution magnetic spectroscopy, thereby allowing the extraction of excitation energies and spectroscopic factors. Bayesian methods are combined with the distorted wave Born approximation to assign statistically meaningful uncertainties to the extracted spectroscopic factors. For the first time, these uncertainties are propagated through to the estimation of proton partial widths. Our experimental data are used to calculate the reaction rate. The impact of the new rates are investigated using asymptotic giant branch star models. Furthermore, it is found that while the astrophysical conditions still dominate the total uncertainty, intramodel variations on sodium production from the 23 Na(p, γ) and 23 Na(p,α) reaction channels are a lingering source of uncertainty.

20 ≤ A ≤ 38↗
DOE OSTI2024

CI/CD Efforts for Validation, Verification and Benchmarking OpenMP Implementations

Software developers must adapt to keep up with the changing capabilities of platforms so that they can utilize the power of High-Performance Computers (HPC), including exascale systems. OpenMP, a directive-based parallel programming model, allows developers to include directives to existing C, C++, or Fortran code to allow node level parallelism without compromising performance. This paper describes our CI/CD efforts to provide easy evaluation of the support of OpenMP across different compilers using existing testsuites and benchmark suites on HPC platforms. Our main contributions include (1) the set of a Continuous Integration (CI) and Continuous Development (CD) workflow that captures bugs and provides faster feedback to compiler developers, (2) an evaluation of OpenMP (offloading) implementations supported by AMD, HPE, GNU, LLVM, and Intel, and (3) evaluation of the quality of compilers across different heterogeneous HPC platforms. With the comprehensive testing through the CI/CD workflow, we aim to provide a comprehensive understanding of the current state of OpenMP (offloading) support in different compilers and heterogeneous platforms consisting of CPUs and GPUs from NVIDIA, AMD, and Intel.

Jarmusch, Aaron↗
DOE OSTI2021

The Baghdad Atlas: A relational database of inelastic neutron-scattering (n,n ' γ) data

A relational database has been developed based on the original (n,n'γ) work carried out by A. M. Demidov et al., at the Nuclear Research Institute in Baghdad, Iraq (Demidov et al., 1978) for 105 independent measurements comprising 76 elemental samples of natural composition and 29 isotopically-enriched samples. The information from this Atlas includes: γ-ray energies and relative intensities; nuclide and level data corresponding to the residual nucleus and meta data associated with the target sample that allows for the extraction of the flux-weighted (n,n'γ) cross sections for a given transition relative to a defined value. The optimized angular-distribution-corrected fast-neutron flux-weighted partial γ-ray cross section for the production of the 846.8-keV 21+→0gs+γ-ray transition in 56Fe, determined to be $\langle$σγ$\rangle$=143(29) mb, is used for this purpose. However, different values for the adopted cross section can be readily implemented to accommodate user preference based on revised determinations of this quantity. The Atlas (n,n'γ) data has been compiled into a series of CSV-style ASCII data sets and a suite of Python scripts have been developed to build and install the database locally. The database can then be accessed directly through the SQLite engine, or using alternative methods such as the Jupyter Notebook Python-browser interface. Several examples exploiting different interaction methodologies are distributed with the complete software package.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Hydropower Fish Passage Webmap

The National Fish Passage Webmap application provides an environment that allows users to visualize information information on fish passage facility existence, type, and direction at hydropower developments across the conterminous United States. It was developed through collaborative partnerships with fish passage engineers and biologists at both the US Fish and Wildlife Service (USFWS) and the National Marine Fisheries Service (NMFS), and hydropower experts at the Low Impact Hydropower Institute (LIHI). Data on fish passage facilities at hydropower features were compiled from numerous sources including published and non-published datasets, published reports, email communications with federal and state resource managers and hydropower operators, and by extracting information from regulatory documents within the FERC eLibrary. The number of sources for a given feature varied, which occasionally resulted in conflicting information regarding the existence of fish passage facilities or in the type or sub-type of passage technologies. Such discrepancies were reviewed and resolved individually, based on the weight of evidence or, when available, on direct observations from information providers or aerial imagery.

13 HYDRO ENERGY↗
DOE OSTI2026

A review of energy storage for power system resilience: Functions, metrics, and applications

Aging infrastructure, increasing operational complexity, and surging electricity demand from artificial intelligence and electrification are straining the grid and heightening the risks of disruptions, making resilience a critical priority. Energy storage is increasingly deployed to provide critical power supply, fast grid support, and rapid restoration. However, current practice lacks consistent metrics and systematic methodologies to rigorously quantify the resilience benefits of storage. This paper provides a comprehensive review of energy storage in resilience enhancement, focusing on functional roles, quantification metrics, and integration strategies. A structured resilience metrics library is compiled and categorized to encompass both technical and economic performance aspects. Existing methodologies for resilience-oriented storage planning and operations are critically examined. Key technical and practical challenges are identified, and future research directions are outlined to strengthen storage contributions to grid resilience.

Benefit quantification↗
DOE OSTI2025

VUV Photoionization Dynamics and Reactivity of Heterogeneous Water Clusters

This feature focuses on bridging isolated water and bulk water studies. It assembles experiments and theory on water clusters, mainly probed by vacuum ultraviolet (VUV) radiation, and summarizes what the effects are of intermolecular interactions on both the spectroscopy and the VUV-induced processes in water. In particular, it highlights studies of heterogeneous water clusters─those incorporating other molecular species such as naphthalene, methane, formic acid, and glycerol─which serve as model systems to investigate the fundamental roles of water in hydrogen bonding networks, proton transfer, and astrochemical processes. These mixed clusters provide a platform to revisit the stability of protonated water clusters and compile observations of ionization-induced structural rearrangements and fragmentation, especially in systems involving hydroxyl-rich cosolvents. This feature then explores energy transfer mechanisms in molecular clusters, following VUV photoexcitation. It concludes with potential future directions. First, we investigate excited-state dynamics in molecular clusters through direct probing, complementing the synchrotron studies discussed here. Second, exploring gas-phase molecule evaporation from confined spaces and interfaces using advanced spectroscopic techniques sheds light on these ubiquitous, yet currently debated, molecular processes.

Cluster chemistry↗
DOE OSTI2025

Co-designing Spectral Transformation Oracles with Hybrid Oscillator-Qubit Quantum Processors: From Algorithms to Compilation

We co-design a family of quantum eigenvalue transformation oracles that can be efficiently implemented on hybrid discrete- or continuous-variable (qubit or qumode) hardware. To illustrate the oracle’s representation-theoretic power and near-term experimental accessibility, we encode a Gaussian imaginary time-evolution spectral filter. As a result, we define a continuous linear combination of unitaries block encoding. Due to the ancillary qumode’s infinite-dimensional nature, continuous-variable qumodes constitute a powerful compilation tool for encoding continuous spectral functions without discretization errors while minimizing resource requirements. We then focus on the ubiquitous task of preparing eigenstates in quantum spin models. For completeness, we provide an end-to-end compilation which expresses high-level oracles in terms of an experimentally realizable instruction set architecture in both 1D and 2D. Finally, we examine the leading-order effects of physical errors and highlight open research directions. Our algorithms scale linearly with the spatial extent of the target system and are applicable to both near-term and large-scale quantum processors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Enabling the Broader Use of MOOSE for Nuclear Energy and Other Simulation

This Final Scientific and Technical Report summarizes work performed under the Phase IIA SBIR project “Enabling the Broader Use of MOOSE for Nuclear Energy and Other Simulation” (DE-SC0020906) from August 2023 through August 2025. The objective of the Phase IIA effort was to mature and harden capabilities developed during Phase II, with the goal of enabling practical interoperability between Coreform’s isogeometric analysis (IGA) technologies and the Multiphysics Object-Oriented Simulation Environment (MOOSE), while improving robustness, performance, and scalability for complex, nuclear-relevant geometries. Over the course of Phase IIA, the project established and validated an extraction-based interoperability pathway between Coreform tools and MOOSE. A combined mesh and matrix format was defined collaboratively with MOOSE developers and integrated into the solver, enabling standard MOOSE workflows to operate on data exported from Coreform’s IGA and Flex Representation Method (FRM) pipelines. Early demonstrations validated architectural compatibility using linear solid mechanics problems, while later efforts focused on benchmark testing and external use. By the end of the project period, engineers at BWXT were able to independently set up and execute a simulation using the Coreform–MOOSE workflow and provide direct feedback that informed further refinement. In parallel, substantial effort was devoted to improving the robustness of trimmed U-spline construction for complex CAD geometries. A growing test suite of nuclear-relevant models was compiled through collaboration with multiple stakeholders and used to drive extensive bug fixing and reliability improvements. These efforts resulted in improved robustness and performance, including the addition of fallback capabilities that enhance reliability when the underlying commercial CAD kernel fails. Performance-oriented work progressed later in the project, with the development and demonstration of methods to decompose complex geometries into structured subregions and updated data representations to support more efficient solver processing. Additionally, extensive enhancements to threadsafe parallel data structures and trimming operations established a foundation for scalable processing of large assemblies. Collaboration with Sandia National Laboratories on the SGM geometric modeling kernel advanced to a functioning interface test case, positioning the workflow for future kernel integration. Overall, the Phase IIA effort successfully transitioned the project from architectural proof-of-concept to externally exercised, solver-integrated capability, while clarifying remaining technical challenges related to standardization, performance optimization, and kernel integration.

42 ENGINEERING↗
DOE OSTI2020

A Curated Experimental Compilation Analyzed by Theory Is More than a Review

Macromolecules is an exceptional resource in the field of polymer science and now publishes more than 1000 original articles a year that set the standard for scientific rigor and creative insights. Over the years, these individual contributions have combined to build the foundation of polymer science, broadly and inclusively defined. In addition to the individual articles, many of which are being celebrated in this series of editorials, Macromolecules has published invaluable reviews and perspectives. These scholarly contributions integrate the insights and results from numerous sources into a unified whole and often recommend future directions for the field. Novices and experts alike benefit from these works that capture topics from emerging discoveries to long-pondered topics and everything in between. To explore the importance of Macromolecules’ reviews and perspectives, we considered their influence on the field and found the 1994 review by Fetters et al. entitled “Connection between Polymer Molecular Weight, Density, Chain Dimensions, and Melt Viscoelastic Properties”1 to be a singularity. This review expertly curates and compiles a trove of data to build robust correlations between molecular characteristics and macroscopic viscoelastic properties of polymer melts, in the context of the tube model of entanglements.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Landmark Publications in Analytical Atomic Spectrometry: Fundamentals and Instrumentation Development

The almost-two-centuries history of spectrochemical analysis has generated a body of literature so vast that it has become nearly intractable for experts, much less for those wishing to enter the field. Authoritative, focused reviews help to address this problem but become so granular that the overall directions of the field are lost. This broader perspective can be provided partially by general overviews but then the thinking, experimental details, theoretical underpinnings, and instrumental innovations of the original work must be sacrificed. In the present compilation, this dilemma is overcome by assembling the most impactful publications in the area of analytical atomic spectrometry. Each entry was proposed by at least one current expert in the field and supported by a narrative that justifies its inclusion. The entries were then assembled into a coherent sequence and returned to contributors for a round-robin review. A total of 48 scientists participated in this endeavor, contributing a combined list of 1055 individual articles spanning 17 sub-disciplines of spectrochemical analysis into what the current community views as “key” publications. Of these cited articles, 60 received nominations from four or more scientists, establishing them as the most indispensable reading materials. The outcome of this collaborative effort is intended to serve as a valuable resource not only for current practitioners in atomic spectroscopy but also for present and future students who represent coming generations of analytical atomic spectroscopists.

Instruments & Instrumentation↗
DOE OSTI2022

Material Changes in Electrocatalysis: An In Situ/Operando Focus on the Dynamics of Cobalt‐Based Oxygen Reduction and Evolution Catalysts

Abstract The shift towards cheaper, non‐platinum group metal electrocatalyst materials for clean energy technologies is coupled with challenges in maintaining long‐term performance. For practical purposes, electrocatalytic stability typically focuses on catalyst electrochemical performance over time. However, a deeper understanding of catalyst material property changes during operation is needed to enable material‐specific design strategies for long‐term stabilization. In the last several decades, improvements in material characterization techniques have made it possible to probe the composition, structure, and degradation products of catalysts in situ/operando. Herein we review the current understanding of in situ/operando material stability of Co‐based electrocatalysts for the oxygen evolution (OER) and reduction reactions (ORR) in acidic and alkaline environments. We focus on in situ/operando materials characterization of three categories of Co‐based OER/ORR catalysts: oxides and (oxy)hydroxides, mixed‐metal catalysts, and non‐oxide materials. This review aims to compile and compare the results from multiple studies and techniques to provide insight into the role that the starting material, pH, and applied potential have on the active surface and stability of Co‐based materials. We conclude by highlighting directions that have been underexplored with opportunities for continued research including improving in situ/operando characterization, methods to probe long‐term material changes, and the development of operando studies on full‐scale devices. Using Co‐based materials as a case study, this review shows the vital role that in situ/operando characterization must play in the future of improving electrocatalyst stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Quantum Computing Strategy 2026

Quantum computing (QC) is a rapidly maturing technology with the potential for revolutionary impacts on stockpile stewardship science and national security. Recent developments in fault-tolerant architectures have compressed vendor roadmaps, and predictions of a production-ready quantum computer by the mid-2030s are becoming increasingly credible. This strategy provides a roadmap for integrating QC into the Advanced Simulation and Computing (ASC) program by investing in four strategic focus areas: 1. Develop Capabilities in Mission-Relevant Quantum Applications: ASC will prioritize developing quantum-ready applications in mission areas that have shown significant promise for quantum advantage, including simulations of materials in extreme environments, nuclear dynamics, solving linear and nonlinear partial differential equations, and uncertainty quantification. These applications directly support stockpile stewardship science and modernization objectives. 2. Conduct R&D in Algorithms, Software, and Hardware: Sustained research into quantum algorithms, robust software tools, and quantum hardware is essential. ASC will develop efficient quantum algorithms; invest in quantum compilers, debuggers, and performance tools; and explore specialized quantum hardware tailored to NNSA’s unique requirements. 3. Engage with Vendors and Partners: Early and active collaboration with commercial quantum hardware vendors and academic partners is critical. Through testbeds, co-design agreements, and quantum demonstration facilities, ASC will influence hardware design, gain early access to emerging technologies, and ensure that quantum platforms evolve to meet mission needs. 4. Build Knowledge, Experience, and Workforce: Expanding and upskilling the quantum-trained workforce is essential to long-term success. This includes hiring, internal training, university outreach, and postdoctoral support to ensure ASC maintains the expertise required to operate, program, and integrate quantum systems as they become available. While quantum computing will never replace classical computing, it has the potential to solve certain problems with speed and accuracy that would be unachievable using any conceivable classical high-performance computing (HPC) system. By investing strategically in QC, ASC will help propel the emergent QC industry, maintain U.S. technological leadership, ensure mission readiness, and position itself to rapidly adopt quantum technologies as they mature.

97 MATHEMATICS AND COMPUTING↗