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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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At least 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Low-loss interconnects for modular superconducting quantum processors

Low-loss superconducting aluminium cables and on-chip impedance transformers can be used to link qubit modules and create superconducting quantum computing networks with high-fidelity intermodule state transfer. Scaling is now a key challenge in superconducting quantum computing. One solution is to build modular systems in which smaller-scale quantum modules are individually constructed and calibrated and then assembled into a larger architecture. This, however, requires the development of suitable interconnects. Here we report low-loss interconnects based on pure aluminium coaxial cables and on-chip impedance transformers featuring quality factors of up to 8.1 x 10 5 , which is comparable with the performance of our transmon qubits fabricated on a single-crystal sapphire substrate. We use these interconnects to link five quantum modules with intermodule quantum state transfer and Bell state fidelities of up to 99%. To benchmark the overall performance of the processor, we create maximally entangled, multiqubit Greenberger-Horne-Zeilinger states. The generated intermodule four-qubit Greenberger-Horne-Zeilinger state exhibits 92.0% fidelity. We also entangle up to 12 qubits in a Greenberger-Horne-Zeilinger state with 55.8 ± 1.8% fidelity, which is above the genuine multipartite entanglement threshold of 1/2.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Towards New Metrics for High-Performance Computing Resilience

Ensuring the reliability of applications is becoming an increasingly important challenge as high-performance computing (HPC) systems experience an ever-growing number of faults, errors and failures. While the HPC community has made substantial progress in developing various resilience solutions, it continues to rely on platform-based metrics to quantify application resiliency improvements. The resilience of an HPC application is concerned with the reliability of the application outcome as well as the fault handling efficiency. To understand the scope of impact, effective coverage and performance efficiency of existing and emerging resilience solutions, there is a need for new metrics. In this paper, we develop new ways to quantify resilience that consider both the reliability and the performance characteristics of the solutions from the perspective of HPC applications. As HPC systems continue to evolve in terms of scale and complexity, it is expected that applications will experience various types of faults, errors and failures, which will require applications to apply multiple resilience solutions across the system stack. The proposed metrics are intended to be useful for understanding the combined impact of these solutions on an application's ability to produce correct results and to evaluate their overall impact on an application's performance in the presence of various modes of faults.

Fault Tolerance↗
DOE OSTI2020

Computational thermodynamics and its applications

Thermodynamics is a science concerning the state of a system, whether it is stable, metastable or un- stable, when interacting with the surroundings. In this overview, fundamentals of thermodynamics are briefly reviewed through the combination of first and second laws of thermodynamics for open and nonequilibrium systems to demonstrate that the reversible equilibrium and irreversible nonequilibrium thermodynamics can be integrated to enhance the power and utilities of thermodynamics. The recent progresses in computational thermodynamics, the remaining challenges, and potential impacts in broad scientific fields are discussed here. It is shown that computational thermodynamics enables the modeling of thermodynamics of a state as a function of both external and internal variables and quantitative calculations of a broad range of properties of a multicomponent system in terms of first and second derivatives of energy, including not only equilibrium states when there are no driving forces for any internal processes and but also non-equilibrium states with driving forces for internal processes. Consequently, external constraints such as fixed strain and internal degree of freedoms such as ordering and defects can be described in a coherent framework and applied to materials design. Furthermore, two important but largely overlooked aspects in thermodynamics will be discussed, i.e. the rigorous application of statistical thermodynamics with the probability of configurations and their contributions to system properties, and the applications of second derivatives of energy with respect to either two extensive variables or two potentials or a mixture of them in terms of understanding and predicting emergent behaviors, critical phenomena, kinetic coefficients, and mechanical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Transforming ENERGY through Computational Excellence

Computational methods underpin advancing the science and engineering of energy efficiency, sustainable transportation, renewable power technologies, and developing a knowledge base to optimize energy systems. Researchers with access to enough computing, and the right type, can focus their ingenuity and creativity on addressing the energy challenges. NREL’s advanced computing influence spans several common themes across the Office of Energy Efficiency and Renewable Energy (EERE), including materials discovery, process modeling, fluid dynamics, resource mapping, and analysis of large-scale systems with real-time optimization.

advanced computing↗
DOE OSTI2024

Uncertainty-informed selection of CMIP6 Earth System Model subsets for use in multisectoral and impact models

Earth system models (ESMs) and general circulation models (GCMs) are heavily used to provide inputs to sectoral impact and multisector dynamic models, which include representations of energy, water, land, economics, and their interactions. Therefore, representing the full range of model uncertainty, scenario uncertainty, and interannual variability that ensembles of these models capture is critical to the exploration of the future co-evolution of the integrated human–Earth system. The pre-eminent source of these ensembles has been the Coupled Model Intercomparison Project (CMIP). With more modeling centers participating in each new CMIP phase, the size of the model archive is rapidly increasing, which can be intractable for impact modelers to effectively utilize due to computational constraints and the challenges of analyzing large datasets. In this work, we present a method to select a subset of the latest phase, CMIP6, featuring models for use as inputs to a sectoral impact or multisector dynamics models, while prioritizing preservation of the range of model uncertainty, scenario uncertainty, and interannual variability in the full CMIP6 ensemble results. This method is intended to help impact modelers select climate information from the CMIP archive efficiently for use in downstream models that require global coverage of climate information. This is particularly critical for large-ensemble experiments of multisector dynamic models that may be varying additional features beyond climate inputs in a factorial design, thus putting constraints on the number of climate simulations that can be used. We focus on temperature and precipitation outputs of CMIP6 models, as these are two of the most used variables among impact models, and many other key input variables for impacts are at least correlated with one or both of temperature and precipitation (e.g., relative humidity). Besides preserving the multi-model ensemble variance characteristics, we prioritize selecting CMIP6 models in the subset that preserve the very likely distribution of equilibrium climate sensitivity values as assessed by the latest Intergovernmental Panel on Climate Change (IPCC) report. This approach could be applied to other output variables of climate models and, possibly when combined with emulators, offers a flexible framework for designing more efficient experiments on human-relevant climate impacts. It can also provide greater insight into the properties of existing CMIP6 models.

Snyder, Abigail C.↗
DOE OSTI2023

Logical quantum processor based on reconfigurable atom arrays

Suppressing errors is the central challenge for useful quantum computing, requiring quantum error correction (QEC) for large-scale processing. However, the overhead in the realization of error-corrected ‘logical’ qubits, in which information is encoded across many physical qubits for redundancy, poses substantial challenges to large-scale logical quantum computing. Here we report the realization of a programmable quantum processor based on encoded logical qubits operating with up to 280 physical qubits. Using logical-level control and a zoned architecture in reconfigurable neutral-atom arrays, our system combines high two-qubit gate fidelities, arbitrary connectivity, as well as fully programmable single-qubit rotations and mid-circuit readout. Operating this logical processor with various types of encoding, we demonstrate improvement of a two-qubit logic gate by scaling surface-code distance from d = 3 to d = 7, preparation of colour-code qubits with break-even fidelities, fault-tolerant creation of logical Greenberger–Horne–Zeilinger (GHZ) states and feedforward entanglement teleportation, as well as operation of 40 colour-code qubits. Finally, using 3D [[8,3,2]] code blocks, we realize computationally complex sampling circuits with up to 48 logical qubits entangled with hypercube connectivity with 228 logical two-qubit gates and 48 logical CCZ gates. We find that this logical encoding substantially improves algorithmic performance with error detection, outperforming physical-qubit fidelities at both cross-entropy benchmarking and quantum simulations of fast scrambling. These results herald the advent of early error-corrected quantum computation and chart a path towards large-scale logical processors.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

ChemComp: Compiling and Computing with Chemical Reaction Networks

The exponential growth in computing demands driven by scientific computing, data analytics, and artificial intelligence is pushing conventional CMOS-based high-performance computing systems to their physical and energy efficiency limits. As we approach the era of post-exascale computing, disruptive approaches are necessary to overcome these barriers and achieve substantial gains in energy efficiency. Analog and hybrid digital-analog computing systems have emerged as promising alternatives, offering the potential for orders-of-magnitude improvements in efficiency. Among these, biochemical computing stands out as a novel paradigm capable of leveraging the natural efficiency of chemical reactions, which have shown promise in solving optimization problems by converging to steady states. By scaling up reaction networks or reaction vessel sizes, biochemical systems present an opportunity to meet the high-performance demands of modern computing tasks. Despite their promise, significant theoretical and practical challenges remain, particularly in formulating and mapping computational problems to chemical reaction networks (CRNs) and designing viable biochemical computing devices. This paper addresses these challenges by introducing new ideas to ChemComp, a compilation and emulation framework for chemical computation. This work describes the mechanisms through which solutions to ordinary differential equations (ODEs) that can be represented as CRN systems can be achieved. Furthermore, we explain the design principles of an ODE dialect implemented as a multi-level intermediate representation (MLIR) compiler extension that will be coupled with existing infrastructure. We demonstrate the potential of our framework through a case study emulating a simplified chemical reservoir computing device. This work establishes foundational tools and methodologies necessary to harness the computational power of chemistry, paving the way for the development of energy-efficient, high-performance computing systems tailored to contemporary and future computational needs.

Bohm Agostini, Nicolas↗
NASA NTRS2016

Uncertainty Reduction using Bayesian Inference and Sensitivity Analysis: A Sequential Approach to the NASA Langley Uncertainty Quantification Challenge

This paper presents a computational framework for uncertainty characterization and propagation, and sensitivity analysis under the presence of aleatory and epistemic un- certainty, and develops a rigorous methodology for efficient refinement of epistemic un- certainty by identifying important epistemic variables that significantly affect the overall performance of an engineering system. The proposed methodology is illustrated using the NASA Langley Uncertainty Quantification Challenge (NASA-LUQC) problem that deals with uncertainty analysis of a generic transport model (GTM). First, Bayesian inference is used to infer subsystem-level epistemic quantities using the subsystem-level model and corresponding data. Second, tools of variance-based global sensitivity analysis are used to identify four important epistemic variables (this limitation specified in the NASA-LUQC is reflective of practical engineering situations where not all epistemic variables can be refined due to time/budget constraints) that significantly affect system-level performance. The most significant contribution of this paper is the development of the sequential refine- ment methodology, where epistemic variables for refinement are not identified all-at-once. Instead, only one variable is first identified, and then, Bayesian inference and global sensi- tivity calculations are repeated to identify the next important variable. This procedure is continued until all 4 variables are identified and the refinement in the system-level perfor- mance is computed. The advantages of the proposed sequential refinement methodology over the all-at-once uncertainty refinement approach are explained, and then applied to the NASA Langley Uncertainty Quantification Challenge problem.

Uncertainty↗
DOE OSTI2013

Nanoscale heat transfer – from computation to experiment

Heat transfer can differ distinctly at the nanoscale from that at the macroscale. Recent advancement in computational and experimental techniques has enabled a large number of interesting observations and understanding of heat transfer processes at the nanoscale. We will first discuss recent advances in computational and experimental methods used in nanoscale thermal transport studies, followed by reviews of novel thermal transport phenomena at the nanoscale observed in both computational and experimental studies, and discussion on current understanding of these novel phenomena. Our perspectives on challenges and opportunities on computational and experimental methods are also presented.

42 ENGINEERING↗
DOE OSTI2012

Approximate Weighted Matching On Emerging Manycore and Multithreaded Architectures

Graph matching is a prototypical combinatorial problem with many applications in computer science and scientific computing, but algorithms for computing optimal matchings are challenging to parallelize. Approximate matching algorithms provide an alternate route for parallelization, and in many contexts compute near-optimal matchings for large-scale graphs. We present sharedmemory parallel implementations for computing half-approximate weighted matching on state-of-the-art multicore (Intel Nehalem and AMD Magny-Cours), manycore (Nvidia Tesla and Nvidia Fermi) and massively multithreaded (Cray XMT) platforms. We provide two implementations: the first implementation uses shared work queues, and is suited to all these platforms; the second implementation is based on dataflow principles, and exploits the architectural features of the Cray XMT. Using a carefully chosen dataset that exhibits characteristics from a wide range of real-world applications, we show scalable performance across different platforms. In particular, for one instance of the input, an R-MAT graph (RMAT-G), we show speedups of: about 32 on 48 cores of an AMD Magny-Cours; 7 on 8 cores of Intel Nehalem; 3 on Nvidia Tesla and 10 on Nvidia Fermi relative to one core of Intel Nehalem; and 60 on 128 processors of Cray XMT. We demonstrate good weak and strong scaling for graphs with up to a billion edges using up to 12, 800 threads. Given the breadth of this work, we focus on simplicity and portability of software rather than excessive fine-tuning for each platform. To the best of our knowledge, this is the first such large-scale study of the half-approximate weighted matching problem on shared-memory platforms. Driven by the critical enabling role of combinatorial algorithms such as matching in scientific computing and the emergence of informatics applications, there is a growing demand to support irregular computations on current and future computing platforms. In this context, we evaluate the capability of emerging multithreaded platforms to tolerate latency induced by irregular memory access patterns, and to support fine-grained parallelism via light-weight synchronization mechanisms. By contrasting the architectural features of these platforms against the Cray XMT, which is specifically designed to support irregular memory-intensive applications, we delineate the impact of these choices on performance.

Halappanavar, Mahantesh↗
NASA NTRS1987

Progress and challenges in the application of artificial intelligence to computational fluid dynamics

An approach to analyzing CFD knowledge-based systems is proposed which is based, in part, on the concept of knowledge-level analysis. Consideration is given to the expert cooling fan design system, the PAN AIR knowledge system, grid adaptation, and expert zonal grid generation. These AI/CFD systems demonstrate that current AI technology can be successfully applied to well-formulated problems that are solved by means of classification or selection of preenumerated solutions.

Andrews, Alison E.↗
NASA NTRS2006

Role of High-End Computing in Meeting NASA's Science and Engineering Challenges

Two years ago, NASA was on the verge of dramatically increasing its HEC capability and capacity. With the 10,240-processor supercomputer, Columbia, now in production for 18 months, HEC has an even greater impact within the Agency and extending to partner institutions. Advanced science and engineering simulations in space exploration, shuttle operations, Earth sciences, and fundamental aeronautics research are occurring on Columbia, demonstrating its ability to accelerate NASA s exploration vision. This talk describes how the integrated production environment fostered at the NASA Advanced Supercomputing (NAS) facility at Ames Research Center is accelerating scientific discovery, achieving parametric analyses of multiple scenarios, and enhancing safety for NASA missions. We focus on Columbia s impact on two key engineering and science disciplines: Aerospace, and Climate. We also discuss future mission challenges and plans for NASA s next-generation HEC environment.

Biswas, Rupak↗
DOE OSTI2021

Athena: High-Performance Sparse Tensor Contraction Sequence on Heterogeneous Memory

Sparse tensor contraction sequence has been widely employed in many fields, such as chemistry and physics. However, how to efficiently implement the sequence faces multiple challenges, such as redundant computations and memory operations, massive memory consumption, and inefficient utilization of hardware. To address the above challenges, we introduce Athena, a high-performance framework for SpTC sequences. Athena introduces new data structures, leverages emerging Optane-based heterogeneous memory (HM) architecture, and stage parallelism. In particular, Athena introduces shared hash table-represented sparse accumulator to eliminate unnecessary input processing and data migration; Athena uses a novel data-semantic guided dynamic migration solution to make the best use of the Optane-based HM for high performance; Athena also co-runs execution phases with different characteristics to enable high hardware utilization. Evaluating with 12 datasets, we show that Athena brings 327-7362× speedup over the state-of-the-art SpTC algorithm. With the dynamic data placement guided by data semantics, Athena brings performance improvement on Optane-based HM over a state-of-the-art software-based data management solution, a hardware-based data management solution, and PMM-only by 1.58×, 1.82×, and 2.34× respectively.

Liu, Jiawen↗