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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 OSTI2019

Orchestrating intercontinental advance reservations with software-defined exchanges

To interconnect research facilities across wide geographic areas, network operators deploy science networks, also referred to as research and education networks. These networks allow experimenters to establish dedicated circuits between research facilities for transferring large amounts of data by using advanced reservation systems. Intercontinental dedicated circuits typically require coordination among multiple administrative domains, which need to reach an agreement on a suitable advance reservation. The success rate of finding an advance reservation decreases as the number of participant domains increases for traditional systems because the circuit is composed over a single path. To improve provisioning of multidomain advance reservations, we have designed and implemented an architecture for end-to-end service orchestration in multidomain science networks that leverages software-defined exchanges for providing multipath, multidomain advance reservations. In conclusion, our orchestration architecture improves the reservation success rate from 50% in single-path systems to 99% when four paths are available.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

A Survey on the Expanding Scope and Interdisciplinary Opportunities for Processing-in-Memory Techniques

Processing-in-Memory (PIM) is emerging as a practical path to overcome the limitations of traditional von Neumann architectures. At its core, PIM systems implement computing primitives such as logic operations and multiply-accumulate acceleration through compute-in-memory, near-memory processing, or hybrid designs. The role of memory cells varies widely across technologies, acting as inputs, outputs, or analog accumulators through bit-lines and sense amplifiers. This diversity creates trade-offs in precision, bandwidth, latency, and programmability, making it difficult to build a unified understanding on the progress of the field. In this survey, we organize recent advances of PIM into three areas. First, we discuss the progress on the architectural optimizations of PIM and its integration with both DRAM and emerging non-volatile memories. Second, we examine how PIM is being used to accelerate key computing domains, including generative AI workloads and high-performance kernels, along with new approaches. Third, we highlight the growing adoption of PIM in computational sciences, where it is being applied to solve interdisciplinary problems such as genome analysis, mRNA quantification, mass spectrometry, quantum circuit simulation, wave modeling, and secure computation. Finally, we synthesize the major challenges that continue to slow PIM adoption, including manufacturing constraints, power delivery, thermal reliability, data consistency, runtime and memory-management coordination, and the difficulty of building portable software abstractions without sacrificing commercial viability. This work provides an updated, structured perspective on PIM’s potential across computing and computational sciences and the barriers that must be solved for it to reach its full impact.

Asifuzzaman, Kazi [Oak Ridge National Laboratory (↗
DOE OSTI2024

Diffractive optical computing in free space

Abstract Structured optical materials create new computing paradigms using photons, with transformative impact on various fields, including machine learning, computer vision, imaging, telecommunications, and sensing. This Perspective sheds light on the potential of free-space optical systems based on engineered surfaces for advancing optical computing. Manipulating light in unprecedented ways, emerging structured surfaces enable all-optical implementation of various mathematical functions and machine learning tasks. Diffractive networks, in particular, bring deep-learning principles into the design and operation of free-space optical systems to create new functionalities. Metasurfaces consisting of deeply subwavelength units are achieving exotic optical responses that provide independent control over different properties of light and can bring major advances in computational throughput and data-transfer bandwidth of free-space optical processors. Unlike integrated photonics-based optoelectronic systems that demand preprocessed inputs, free-space optical processors have direct access to all the optical degrees of freedom that carry information about an input scene/object without needing digital recovery or preprocessing of information. To realize the full potential of free-space optical computing architectures, diffractive surfaces and metasurfaces need to advance symbiotically and co-evolve in their designs, 3D fabrication/integration, cascadability, and computing accuracy to serve the needs of next-generation machine vision, computational imaging, mathematical computing, and telecommunication technologies.

36 MATERIALS SCIENCE↗
NASA NTRS1991

AIAA/NASA International Symposium on Space Information Systems, 2nd, Pasadena, CA, Sept. 17-19, 1990, Proceedings. Vols. 1 & 2

These proceedings overview major space information system projects and lessons learned from current missions. Other topics include the science information system requirements for the 1990s, an information systems design approach for major programs, the technology needs and projections, the standards for space data information systems, the artificial intelligence technology and applications, international interoperability, and spacecraft data systems and architectures advanced communications. Other topics include the software engineering technology and applications, the multimission multidiscipline information system architectures, the distributed planning and scheduling systems and operations, and the computer and information systems architectures. Paper presented include prospects for scientific data analysis systems for solar-terrestrial physics in the 1990s, the Columbus data management system, data storage technologies for the future, the German aerospace research establishment, and launching artificial intelligence in NASA ground systems.

Tavenner, Leslie A.↗
NASA NTRS2026

Hydrology Copilot: A Cloud-Native Ai System for Hydrological Data Analysis

The emergence of AI-driven Earth observation systems promises to broaden access to petabyte-scale geospatial data beyond domain specialists. However, translating this vision into operational scientific infrastructure requires addressing fundamental challenges in data virtualization, code transparency, and domain-specific reasoning. We present Hydrology Copilot, a cloud-native AI framework for natural-language-driven analysis of Earth observation data. To demonstrate operational capabilities at scale, we implement the system using NASA's North American Land Data Assimilation System version 3 (NLDAS-3), which provides surface meteorological forcing and land-surface model output across North and Central America at 1-km resolution, from which drought diagnostics are derived. The system integrates five core contributions: (1) scalable data virtualization using Kerchunk-based cloud optimized access, achieving a 1.5 to 4.6 times improvement in I/O latency across benchmark queries spanning regional single-day extractions (4.6 times speedup) to continental monthly aggregations (1.5 times speedup); (2) transparent code generation through Microsoft Azure AI Foundry agents that expose executable Python workflows for scientific verification; (3) persistent conversational memory enabling multi-turn analytical discourse across sessions; (4) intelligent query validation that enforces dataset boundaries and resolves ambiguous requests before execution; and (5) a multi-agent architecture coordinating query parsing, code generation, and visualization. We evaluate the system through drought-monitoring workflows, demonstrating reliable code generation, accurate results validated against reference computations and the operational U.S. Drought Monitor, and efficient operation across increasingly complex tasks. By bridging natural-language interfaces with rigorous hydrological analysis, Hydrology Copilot advances beyond proof-of-concept demonstrations to provide a deployable framework for operational Earth science applications.

Data virtualization↗
DOE OSTI2018

An introduction to partial differential equations constrained optimization

Partial differential equation (PDE) constrained optimization is designed to solve control, design, and inverse problems with underlying physics. A distinguishing challenge of this technique is the handling of large numbers of optimization variables in combination with the complexities of discretized PDEs. Over the last several decades, advances in algorithms, numerical simulation, software design, and computer architectures have allowed for the maturation of PDE constrained optimization (PDECO) technologies with subsequent solutions to complicated control, design, and inverse problems. This special journal edition, entitled “PDE-Constrained Optimization”, features eight papers that demonstrate new formulations, solution strategies, and innovative algorithms for a range of applications. In particular, these contributions demonstrate the impactfulness on our engineering and science communities. This paper offers short remarks to provide some perspective and background for PDECO, in addition to summaries of the eight papers.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Integrating Analytical Solutions and U-Net Model for Predicting Groundwater Contaminant Plumes in Pump-and-Treat Systems

Pump-and-treat (P&T) is a common technique for groundwater remediation involving the extraction and treatment of contaminated water above ground. Optimizing the design and operation of the P&T well network is essential for maximizing the system’s effectiveness and efficiency. However, this optimization often necessitates many model evaluations, leading to computationally demanding tasks. This study introduces a novel approach that integrates analytical solutions for groundwater dynamics with the U-Net (Ronneberger et al., 2015) deep learning framework to predict groundwater contaminant plume migration under dynamic pumping conditions. By incorporating the Thiem equation (Thiem, 1906) into the input preprocessing, the U-Net model transforms sparse well data into a continuous spatial field that captures the hydraulic impacts of pumping activities. This integration enables the model to leverage both deep learning capabilities and classical physics-based groundwater theories, enhancing prediction accuracy and computational efficiency. These advancements can facilitate rapid, large-scale evaluations of P&T optimization simulations, allowing for timely and effective decision-making in well placement and system management. We demonstrate the model's robust performance across both simplified transient 2D models and a more complex 3D heterogeneous site model at the 200 West P&T facility at the Hanford Site. The U-Net-based model offers substantial computational advantages, reducing simulation times significantly compared to full physics-based models and providing a powerful tool for rapid site evaluation and P&T system optimization, such as evaluating alternative P&T well network designs. Our findings highlight the potential of advanced machine learning models to significantly enhance the efficiency and sustainability of groundwater remediation efforts, offering a novel application of U-Net architecture in environmental science.

Pump-and-treat↗
DOE OSTI2018

Crossroads Workflows

The Department of Energy (DOE) compute facilities operate as resources for the National Nuclear Security Administration (NNSA) and Office of Science. In this document we describe a subset of scientific work flows which are run on current platforms. There is significant commonality to how Los Alamos National Laboratory (LANL), Sandia National Laboratory (SNL), Lawrence Liver- more National Laboratory (LLNL) and the National Energy Research Scientific Computing Center (NERSC) operate and conduct scienti c inquiry with supercomputers. In addition to presenting the commonality between the sites, we believe that opportunities exist to significantly optimize the operation of our facilities and more rapidly advance our scientific goals. In describing how our scientific work flows move from inception to realization we believe that we can enable significant improvements in how computer architectures support real scientific work flows. Briefly, in order for a team of scientists to access the large supercomputers at these facilities, the team must be granted an allocation. Allocations last for a fixed amount of time (usually 6 or 12 months), and a large number of teams will have overlapping allocations ensuring that a large amount of work is available in the scheduling queue. During the allocation, the scientists will construct work flows as described in this document. Many simultaneous allocations may use identical work flows with different data and scientific goals.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

LCLS Big Data Handling – How I Learned to Stop Worrying and Love the Data Deluge

Advanced data and computing systems are vital to Linac Coherent Light Source (LCLS) operations, data interpretation and overall scientific productivity. The transition to MHz-era operation marks a fundamental change in scale that requires new infrastructure and architectures to link LCLS to the required scale of computing needed for scientific interpretation. The LCLS-II Data System meets big data challenges by implementing configurable data reduction that can adapt to multiple science areas, real-time analysis frameworks to provide visualization and fast feedback, and the ability to transfer data to local and remote computational facilities for near real time analysis at the appropriate scale. Feature extracted information generated in the data analysis pipeline - at the edge, local compute, or remote High-Performance Computing (HPC) resources - can be used to steer experiments and inform user decisions during beam time. Artificial Intelligence and Machine Learning (AI/ML) techniques present new opportunities to rapidly analyse large datasets and direct experiments, but create new challenges in scaling, adaptability, complexity, and trustworthiness. We describe how the LCLS-II Data System architecture addresses its data-driven challenges in the areas of data acquisition, data processing, data management, and workflow orchestration to decrease the overall time-to-science and provide a vision for future developments.

artificial intelligence↗
DOE OSTI2026

ToPolyAgent: AI agents for coarse-grained bead-spring topological polymer simulations

We introduce ToPolyAgent, a multi-agent AI framework for performing coarse-grained molecular dynamics (MD) simulations of topological polymers through natural language instructions. By integrating large language models (LLMs) with domain-specific computational tools, ToPolyAgent supports both interactive and autonomous simulation workflows across diverse polymer architectures, including linear, ring, brush, and star polymers, as well as dendrimers. The system consists of four LLM-powered agents: a Config Agent for generating initial polymer–solvent configurations, a Simulation Agent for executing LAMMPS-based MD simulations and conformational analyses, a Report Agent for compiling markdown reports, and a Workflow Agent for streamlined autonomous operations. Interactive mode incorporates user feedback loops for iterative refinements, while autonomous mode enables end-to-end task execution from detailed prompts. We demonstrate ToPolyAgent's versatility through case studies involving diverse polymer architectures under varying solvent conditions, thermostats, and simulation lengths. Furthermore, we highlight its potential as a research assistant by directing it to investigate the effect of interaction parameters on the linear polymer conformation, and the influence of grafting density on the persistence length of the brush polymer. By coupling natural language interfaces with rigorous simulation tools, ToPolyAgent lowers barriers to complex computational workflows and advances AI-driven materials discovery in polymer science. It lays the foundation for autonomous and extensible multi-agent scientific research ecosystems.

Ding, Lijie [Oak Ridge National Laboratory (ORNL),↗
DOE OSTI2026

Pixel-Resolved Long-Context Learning for Turbulence at Exascale: Resolving Small-scale Eddies Toward the Viscous Limit

Turbulence plays a crucial role in multiphysics applications, including aerodynamics, fusion, and combustion. Accurately capturing turbulence's multiscale characteristics is essential for reliable predictions of multiphysics interactions, but remains a grand challenge even for exascale supercomputers and advanced deep learning models. The extreme-resolution data required to represent turbulence, ranging from billions to trillions of grid points, pose prohibitive computational costs for models based on architectures like vision transformers. To address this challenge, we introduce a multiscale hierarchical Turbulence Transformer that reduces sequence length from billions to a few millions and a novel RingX sequence parallelism approach that enables scalable long-context learning. We perform scaling and science runs on the Frontier supercomputer. Our approach demonstrates excellent performance up to 1.1 EFLOPS on 32,768 AMD GPUs, with a scaling efficiency of 94\%. To our knowledge, this is the first AI model for turbulence that can capture small-scale eddies down to the dissipative range in three-dimensional turbulence at high Reynolds numbers.

Yin, Junqi [ORNL] (ORCID:0000000338435520)↗
DOE OSTI2015

ASCR Cybersecurity for Scientific Computing Integrity - Research Pathways and Ideas Workshop

At the request of the U.S. Department of Energy's (DOE) Office of Science (SC) Advanced Scientific Computing Research (ASCR) program office, a workshop was held June 2-3, 2015, in Gaithersburg, MD, to identify potential long term (10 to +20 year) cybersecurity fundamental basic research and development challenges, strategies and roadmap facing future high performance computing (HPC), networks, data centers, and extreme-scale scientific user facilities. This workshop was a follow-on to the workshop held January 7-9, 2015, in Rockville, MD, that examined higher level ideas about scientific computing integrity specific to the mission of the DOE Office of Science. Issues included research computation and simulation that takes place on ASCR computing facilities and networks, as well as network-connected scientific instruments, such as those run by various DOE Office of Science programs. Workshop participants included researchers and operational staff from DOE national laboratories, as well as academic researchers and industry experts. Participants were selected based on the submission of abstracts relating to the topics discussed in the previous workshop report [1] and also from other ASCR reports, including "Abstract Machine Models and Proxy Architectures for Exascale Computing" [27], the DOE "Preliminary Conceptual Design for an Exascale Computing Initiative" [28], and the January 2015 machine learning workshop [29]. The workshop was also attended by several observers from DOE and other government agencies. The workshop was divided into three topic areas: (1) Trustworthy Supercomputing, (2) Extreme-Scale Data, Knowledge, and Analytics for Understanding and Improving Cybersecurity, and (3) Trust within High-end Networking and Data Centers. Participants were divided into three corresponding teams based on the category of their abstracts. The workshop began with a series of talks from the program manager and workshop chair, followed by the leaders for each of the three topics and a representative of each of the four major DOE Office of Science Advanced Scientific Computing Research Facilities: the Argonne Leadership Computing Facility (ALCF), the Energy Sciences Network (ESnet), the National Energy Research Scientific Computing Center (NERSC), and the Oak Ridge Leadership Computing Facility (OLCF). The rest of the workshop consisted of topical breakout discussions and focused writing periods that produced much of this report.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2003

Computational Aspects of Data Assimilation and the ESMF

The scientific challenge of developing advanced data assimilation applications is a daunting task. Independently developed components may have incompatible interfaces or may be written in different computer languages. The high-performance computer (HPC) platforms required by numerically intensive Earth system applications are complex, varied, rapidly evolving and multi-part systems themselves. Since the market for high-end platforms is relatively small, there is little robust middleware available to buffer the modeler from the difficulties of HPC programming. To complicate matters further, the collaborations required to develop large Earth system applications often span initiatives, institutions and agencies, involve geoscience, software engineering, and computer science communities, and cross national borders.The Earth System Modeling Framework (ESMF) project is a concerted response to these challenges. Its goal is to increase software reuse, interoperability, ease of use and performance in Earth system models through the use of a common software framework, developed in an open manner by leaders in the modeling community. The ESMF addresses the technical and to some extent the cultural - aspects of Earth system modeling, laying the groundwork for addressing the more difficult scientific aspects, such as the physical compatibility of components, in the future. In this talk we will discuss the general philosophy and architecture of the ESMF, focussing on those capabilities useful for developing advanced data assimilation applications.

daSilva, A.↗
NASA NTRS2002

Systems Architecture for Fully Autonomous Space Missions

The NASA Goddard Space Flight Center is working to develop a revolutionary new system architecture concept in support of fully autonomous missions. As part of GSFC's contribution to the New Millenium Program (NMP) Space Technology 7 Autonomy and on-Board Processing (ST7-A) Concept Definition Study, the system incorporates the latest commercial Internet and software development ideas and extends them into NASA ground and space segment architectures. The unique challenges facing the exploration of remote and inaccessible locales and the need to incorporate corresponding autonomy technologies within reasonable cost necessitate the re-thinking of traditional mission architectures. A measure of the resiliency of this architecture in its application to a broad range of future autonomy missions will depend on its effectiveness in leveraging from commercial tools developed for the personal computer and Internet markets. Specialized test stations and supporting software come to past as spacecraft take advantage of the extensive tools and research investments of billion-dollar commercial ventures. The projected improvements of the Internet and supporting infrastructure go hand-in-hand with market pressures that provide continuity in research. By taking advantage of consumer-oriented methods and processes, space-flight missions will continue to leverage on investments tailored to provide better services at reduced cost. The application of ground and space segment architectures each based on Local Area Networks (LAN), the use of personal computer-based operating systems, and the execution of activities and operations through a Wide Area Network (Internet) enable a revolution in spacecraft mission formulation, implementation, and flight operations. Hardware and software design, development, integration, test, and flight operations are all tied-in closely to a common thread that enables the smooth transitioning between program phases. The application of commercial software development techniques lays the foundation for delivery of product-oriented flight software modules and models. Software can then be readily applied to support the on-board autonomy required for mission self-management. An on-board intelligent system, based on advanced scripting languages, facilitates the mission autonomy required to offload ground system resources, and enables the spacecraft to manage itself safely through an efficient and effective process of reactive planning, science data acquisition, synthesis, and transmission to the ground. Autonomous ground systems in turn coordinate and support schedule contact times with the spacecraft. Specific autonomy software modules on-board include mission and science planners, instrument and subsystem control, and fault tolerance response software, all residing within a distributed computing environment supported through the flight LAN. Autonomy also requires the minimization of human intervention between users on the ground and the spacecraft, and hence calls for the elimination of the traditional operations control center as a funnel for data manipulation. Basic goal-oriented commands are sent directly from the user to the spacecraft through a distributed internet-based payload operations "center". The ensuing architecture calls for the use of spacecraft as point extensions on the Internet. This paper will detail the system architecture implementation chosen to enable cost-effective autonomous missions with applicability to a broad range of conditions. It will define the structure needed for implementation of such missions, including software and hardware infrastructures. The overall architecture is then laid out as a common thread in the mission life cycle from formulation through implementation and flight operations.

Esper, Jamie↗
NASA NTRS1999

An Integrated Architecture for Onboard Spacecraft

As increasingly complex scientific and environmental observation spacecraft are deployed, the burden on the downlink assets, and ground-based systems complexity and cost is becoming a major problem. Already, the limitations of communications bandwidth and processing throughput limit the science data gathering, both in volume and in rate. This poses a dilemma to the scientist experimenter forcing choices between data collection and bandwidth/processing/archiving. Advances in ground based processing and space-to-Earth links have fallen behind the requirements for observation data, at increasing rates, over the last few decades. As NASA achieves its 40th anniversary, the ability to observe and capture phenomena of theoretical and practical interest to life on Earth far outstrips the ability to transfer, process, or store these data. NASA recognizes the need to invest on technological advancements that will enable both the space and ground systems to address the limitations. Spacecraft onboard computing power is a clear one. The capability of creating data products onboard the spacecraft adds a new level of flexibility to address the more demanding observation needs. Current spacecraft computing power is limited and incapable of addressing the needs of the new generation of observation satellites because extensive onboard data processing is required. Traditional spacecraft architectures only collect, package, and transmit to Earth the data acquired by multiple instruments. Conversely, the experience on developing ground data systems shows the need for high performance computing systems to process and create information from the instrumentation data. The expectation is that supercomputing technology is required to enable spacecraft to create information onboard. Moving supercomputing capability onboard spacecraft requires an approach that considers an integrated data architecture. Otherwise, it may simply convert a compute-bound problem into a communications bound problem, as has been shown numerous times in the context of massively parallel architectures. What is left to determine are the technologies that will enable spacecraft high performance computing.

Figueiredo, Marco A.↗
NASA NTRS2021

NASA SpaceCube Edge TPU SmallSat Card for Autonomous Operations and Onboard Science-Data Analysis

Using state-of-the-art artificial intelligence (AI)frameworks onboard spacecraft is challenging because common spacecraft processors cannot provide comparable performance to datacenters with server-grade CPUs and GPUs available for terrestrial applications and advanced deep-learning networks. This limitation makes small, lo w-p o we r AI microchip architectures, such as the Google Coral Edge Tensor Processing Unit (TPU), attractive for space missions where the application-specific design enables both high-performance and power-efficient computing for AI applications. To address these challenging considerations for space deployment, this research introduces the design and capabilities of a CubeSat-sized Edge TPU-based co-processor card, known as the SpaceCube Low-power Ed g e Artificial Intelligence Resilient Node (SC-LEARN). This design conforms to NASA’s CubeSat Card Specification (CS2) for integration into next-generation SmallSat and CubeSat systems. This paper describes the overarching architecture and design of the SC-LEARN, as well as, the supporting test card designed for rapid prototyping and evaluation. The SC-LEARN was developed with three operational modes: (1) a high-performance parallel-processing mode,(2)a fault-tolerant mode for onboard resilience, and (3) a power-saving mode with cold spares. Importantly, this research also elaborates on both training and quantization of Tensor Flow models for the SC-LEARN for use onboard with representative, open-source datasets. Lastly, we describe future research plans, including radiation-beam testing and flight demonstration.

Advanced avionics↗
DOE OSTI2026

A Discrete Hankel Transform Approach to Nuclear Data Processing for Fusion Applications

This study introduces advancements to the numerical solutions employed in the processing of nuclear data for fusion applications. It leverages the convolution theorem and Fourier transform techniques to enhance computational efficiency and broaden applicability. Building upon a previously reported discrete Hankel transform approach for Doppler broadening, this work refines the solution of convolution integrals central to these applications. The methodology provides a general and unified framework for evaluating any convolution operation, regardless of whether the underlying problem involves temperature effects in nuclear reactions. The applicability to the nuclear data processing for fusion is demonstrated by deriving the convolution integrals for some of the fusion-related quantities. As before, the convolution operation utilizes a Gaussian-based kernel; however, the discrete Hankel transform of order $𝛼$ = $\frac{1}{2}$ is now applied to the forward Fourier transform of the nonkernel argument, rather than the inverse Fourier transform. This modification eliminates the need for the integration of the nonkernel, cross section–based function, which is a step that posed challenges for certain pointwise cross-section representations. It also removes the requirement for cross-section linearization. Optimized for graphics processing unit architectures, the approach significantly improves computational performance. These advancements are currently under evaluation as the foundation for the next-generation thermonuclear data file processing codes being developed at Lawrence Livermore National Laboratory.

Nuclear science and engineering↗
DOE OSTI2015

2015 Final Reports from the Los Alamos National Laboratory Computational Physics Student Summer Workshop

The two primary purposes of LANL’s Computational Physics Student Summer Workshop are (1) To educate graduate and exceptional undergraduate students in the challenges and applications of computational physics of interest to LANL, and (2) Entice their interest toward those challenges. Computational physics is emerging as a discipline in its own right, combining expertise in mathematics, physics, and computer science. The mathematical aspects focus on numerical methods for solving equations on the computer as well as developing test problems with analytical solutions. The physics aspects are very broad, ranging from low-temperature material modeling to extremely high temperature plasma physics, radiation transport and neutron transport. The computer science issues are concerned with matching numerical algorithms to emerging architectures and maintaining the quality of extremely large codes built to perform multi-physics calculations. Although graduate programs associated with computational physics are emerging, it is apparent that the pool of U.S. citizens in this multi-disciplinary field is relatively small and is typically not focused on the aspects that are of primary interest to LANL. Furthermore, more structured foundations for LANL interaction with universities in computational physics is needed; historically interactions rely heavily on individuals’ personalities and personal contacts. Thus a tertiary purpose of the Summer Workshop is to build an educational network of LANL researchers, university professors, and emerging students to advance the field and LANL’s involvement in it. This report includes both the background for the program and the reports from the students.

36 MATERIALS SCIENCE↗