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At least 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Blueprint for DOE Quantum Supercomputing: Ensuring U.S. Leadership in the Quantum Decade

Quantum computing stands at the threshold of a transformative decade, where the field will evolve from small-scale demonstrations toward practical scientific computing at scale. This Blueprint identifies fault-tolerant quantum computers (FTQCs) as a viable, scalable, and broadly applicable path to achieving “quantum scientific utility,” defined as solving scientifically valuable problems beyond the reach of conventional, classical computers. This capability is expected to show scientific demonstrations in the late 2020s and to mature in the early-to-mid 2030s. This Blueprint outlines a strategy to prepare the U.S. Department of Energy (DOE) for FTQCs and their integration into the U.S. national scientific computing infrastructure. Its purpose is to identify the steps, milestones, and research directions necessary for DOE to enable initial deployment of FTQCs in 2028 as a scientific tool for the nation and mature this capability into the 2030s. DOE has a long history of supporting quantum information science and technology, contributing significantly to research advancements, training a quantum-ready workforce, and providing access to early small-scale quantum hardware. Given recent demonstrations of logical operations on error-corrected logical qubits and the advancement of commercial hardware roadmaps, DOE should begin preparations for large-scale, fault-tolerant quantum computing deployment for DOE science missions. This Blueprint proposes that DOE focus on (1) deploying first-generation scientifically relevant quantum computers with at least 100 logical qubits and performing at least 10,000 to 100,000 hard logical operations in scientifically relevant calculations; (2) developing essential FTQC programming competencies, system software, and facility readiness; and (3) investing in cutting edge focused R&D that fosters breakthroughs in scientific applications, algorithms, and logical architectures needed to accelerate the advent of scientific utility. This effort will position DOE to transition to larger systems: production-scale quantum computers that comprise 1,000 to 10,000 logical qubits, perform 1 to 10 billion hard logical operations, and execute scientifically useful computations at scale. Achieving these goals will require DOE facilities to evolve with urgency to support scientific campaigns that integrate quantum and classical computing resources into efficient workflows, novel software and firmware environments for compiling and routing quantum programs on FTQC machines, and suitable infrastructure for quantum hardware. It will also require further development and optimization of scientific applications from the fields of materials science, quantum chemistry, and high-energy and nuclear physics. The Blueprint calls for transformative R&D and collective action to accelerate the advent of scientific quantum utility and bring it within reach by 2028.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Supercomputing Foundations

Explore the source record for details and available documents.

Leon Borja, Edgar [Lawrence Livermore National Lab↗
DOE OSTI2023

Coupled cluster theory on modern heterogeneous supercomputers

This study examines the computational challenges in elucidating intricate chemical systems, particularly through ab-initio methodologies. This work highlights the Divide-Expand-Consolidate (DEC) approach for coupled cluster (CC) theory—a linear-scaling, massively parallel framework—as a viable solution. Detailed scrutiny of the DEC framework reveals its extensive applicability for large chemical systems, yet it also acknowledges inherent limitations. To mitigate these constraints, the cluster perturbation theory is presented as an effective remedy. Attention is then directed towards the CPS (D-3) model, explicitly derived from a CC singles parent and a doubles auxiliary excitation space, for computing excitation energies. The reviewed new algorithms for the CPS (D-3) method efficiently capitalize on multiple nodes and graphical processing units, expediting heavy tensor contractions. As a result, CPS (D-3) emerges as a scalable, rapid, and precise solution for computing molecular properties in large molecular systems, marking it an efficient contender to conventional CC models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

The Last Journey. I. An Extreme-scale Simulation on the Mira Supercomputer

The Last Journey is a large-volume, gravity-only, cosmological N-body simulation evolving more than 1.24 trillion particles in a periodic box with a side length of 5.025 Gpc. It was implemented using the HACC simulation and analysis framework on the BG/Q system Mira. The cosmological parameters are chosen to be consistent with the results from the Planck satellite. A range of analysis tools have been run in situ to enable a diverse set of science projects and, at the same time, keep the resulting data amount manageable. Analysis outputs have been generated starting at redshift z ~ 10 to allow for construction of synthetic galaxy catalogs using a semianalytic modeling approach in postprocessing. As part of our in situ analysis pipeline, we employ a new method for tracking halo substructures, introducing the concept of subhalo cores. The production of multiwavelength synthetic sky maps is facilitated by generating particle light cones in situ, also beginning at z ~ 10. We provide an overview of the simulation setup and generated data products; a first set of analysis results is presented. A subset of the data is publicly available.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1982

Beyond the supercomputer

A NASA-directed development of massively parallel processor (MPP) computers is outlined, noting intended applications for data processing for near term earth resource and environment mapping, radar, and television transmissions. The MPP is designed to perform 100 billion operations/sec to obtain satisfactory image processing, while separate processing units correct distortions, register images, calculate correlation functions, and classify multispectral characteristics. Arrays of 1s and 0s will be manipulated in analog-to-digital conversions generating separate planes corresponding to powers of binaries. Data wires are replaced by fiber-optic tubes or thousands of wires, and single logic gates are replaced by thousands of logic gates and every memory element by thousands of memory elements. Features of the interconnections and the images control processor units are detailed, along with implementation of sliders for program flexibility.

Schaefer, D. H.↗
NASA NTRS1984

Computational aerodynamics and supercomputers

Some of the progress in computational aerodynamics over the last decade is reviewed. The Numerical Aerodynamic Simulation Program objectives, computational goals, and implementation plans are described.

Ballhaus, W. F., Jr.↗
NASA NTRS1984

A Kosloff/Basal method, 3D migration program implemented on the CYBER 205 supercomputer

Conventional finite difference migration has relied on approximations to the acoustic wave equation which allow energy to propagate only downwards. Although generally reliable, such approaches usually do not yield an accurate migration for geological structures with strong lateral velocity variations or with steeply dipping reflectors. An earlier study by D. Kosloff and E. Baysal (Migration with the Full Acoustic Wave Equation) examined an alternative approach based on the full acoustic wave equation. The 2D, Fourier type algorithm which was developed was tested by Kosloff and Baysal against synthetic data and against physical model data. The results indicated that such a scheme gives accurate migration for complicated structures. This paper describes the development and testing of a vectorized, 3D migration program for the CYBER 205 using the Kosloff/Baysal method. The program can accept as many as 65,536 zero offset (stacked) traces.

Pyle, L. D.↗
NASA NTRS1984

Application of supercomputers to computational aerodynamics

Computers are playing an increasingly important role in the field of aerodynamics such that they now serve as a major complement to wind tunnels in aerospace research and development. Factors pacing advances in computational aerodynamics are identified, including the amount of computational power required to take the next major step in the discipline. Example results obtained from the successively refined forms of the governing equations are discussed, both in the context of levels of computer power required and the degree to which they either further the frontiers of research or apply to problems of practical importance. Finally, the Numerical Aerodynamic Simulation (NAS) Program - with its 1988 target of achieving a sustained computational rate of 1 billion floating point operations per second and operating with a memory of 240 million words - is discussed in terms of its goals and its projected effect on the future of computational aerodynamics.

Peterson, V. L.↗
NASA NTRS1984

Computational aerodynamics and supercomputers

Some of the progress in computational aerodynamics over the last decade is reviewed. The Numerical Aerodynamic Simulation Program objectives, computational goals, and implementation plans are described. Previously announced in STAR as N84-16139

Ballhaus, W. F., Jr.↗
NASA NTRS1985

Algorithms for the Euler and Navier-Stokes equations for supercomputers

The steady state Euler and Navier-Stokes equations are considered for both compressible and incompressible flow. Methods are found for accelerating the convergence to a steady state. This acceleration is based on preconditioning the system so that it is no longer time consistent. In order that the acceleration technique be scheme-independent, this preconditioning is done at the differential equation level. Applications are presented for very slow flows and also for the incompressible equations.

Turkel, E.↗
NASA NTRS1985

The impact of supercomputers on experimentation: A view from a national laboratory

The relative roles of large scale scientific computers and physical experiments in several science and engineering disciplines are discussed. Increasing dependence on computers is shown to be motivated both by the rapid growth in computer speed and memory, which permits accurate numerical simulation of complex physical phenomena, and by the rapid reduction in the cost of performing a calculation, which makes computation an increasingly attractive complement to experimentation. Computer speed and memory requirements are presented for selected areas of such disciplines as fluid dynamics, aerodynamics, aerothermodynamics, chemistry, atmospheric sciences, astronomy, and astrophysics, together with some examples of the complementary nature of computation and experiment. Finally, the impact of the emerging role of computers in the technical disciplines is discussed in terms of both the requirements for experimentation and the attainment of previously inaccessible information on physical processes.

Peterson, V. L.↗
NASA NTRS1985

The impact of supercomputers on experimentation - A view from a National Laboratory

The relative roles of large-scale scientific computers and physical experiments in several science and engineering disciplines are discussed. Increasing dependence on computers is shown to be motivated both by the rapid growth in computer speed and memory, which permits accurate numerical simulation of complex physical phenomena, and by the rapid reduction in the cost of performing a calculation, which makes computation an increasingly attractive complement to experimentation. Computer speed and memory requirements are presented for selected areas of such disciplines as fluid dynamics, aerodynamics, aerothermodynamics, chemistry, atmospheric sciences, astronomy, and astrophysics, together with some examples of the complementary nature of computation and experiment. Finally, the impact of the emerging role of computers in the technical disciplines is discussed in terms of both the requirements for experimentation and the attainment of previously inaccessible information on physical processes.

Peterson, V. L.↗
NASA NTRS1986

Remote access for NAS: Supercomputing in a university environment

The experiment was designed to assist the Numerical Aerodynamic Simulation (NAS) Project Office in the testing and evaluation of long haul communications for remote users. The objectives of this work were to: (1) use foreign workstations to remotely access the NAS system; (2) provide NAS with a link to a large university-based computing facility which can serve as a model for a regional node of the Long-Haul Communications Subsystem (LHCS); and (3) provide a tail circuit to the University of Colorado a Boulder thereby simulating the complete communications path from NAS through a regional node to an end-user.

Johnson, G.↗