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At least 19 records

Power Grid Computational Challenges and Metrics for Hardware Accelerator Evaluation

The objective of this document is to support the DMC initiative’s research on hardware and software development. Our focus is on the power grid domain that has a rich diversity of numerical and computationally challenging applications. Through this document, we highlight two core building blocks, power flow, and transient stability equations, for power grid applications. Improving computational robustness and acceleration of these core blocks will tremendously benefit all power grid applications. We also highlight the most computationally dominant numerical kernels that are being used in power flow and transient stability.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Building Virtual Ecosystems: Computational Challenges for Mechanistic Modeling of Terrestrial Environments Workshop, Germantown, Maryland, March 26–27, 2014

The mission of the Climate and Environmental Sciences Division of the Office of Biological and Environmental Research (BER) within the U.S. Department of Energy’s (DOE) Office of Science is “to advance a robust, predictive understanding of Earth’s climate and environmental systems and to inform the development of sustainable solutions to the nation’s energy and environmental challenges.” This formidable challenge requires quantification of stocks and controls on states, fluxes, and residence times of water, carbon, and other key elements through all components of the terrestrial system. These components include vegetation, soils, the deep vadose zone, groundwater, and surface water. To achieve this level of predictive understanding, a new generation of multiscale, multiphysics models is needed for terrestrial systems—models that incorporate process couplings and feedbacks between various “pools” (i.e., vegetation, soils, subsurface aquifers, and surface waters) across wide ranges of spatial and temporal scales. To explore the potential of a new generation of multiscale, multiphysics models for revolutionizing the understanding of terrestrial ecosystem dynamics, BER held the Computational Challenges for Mechanistic Modeling of Terrestrial Environments workshop on March 26–27, 2014, in Germantown, Maryland. The workshop brought together 29 researchers with diverse expertise, including hydrologists, environmental scientists, ecologists, microbiologists, plant scientists, and computational scientists. Through a combination of invited talks, breakout sessions, and report-back discussions, workshop attendees identified challenges and research opportunities needed to develop a more seamless and continuous framework for mechanistic modeling of terrestrial environments extending from the bedrock to the atmospheric boundary layer and from single-plant systems to fields of crops to watersheds and river basins.

54 ENVIRONMENTAL SCIENCES↗

Exploring Plant Cis –Regulatory Elements at Single–Cell Resolution: Overcoming Biological and Computational Challenges to Advance Plant Research

Cis-regulatory elements (CREs) are important sequences for gene expression and for plant biological processes such as development, evolution, domestication, and stress response. However, studying CREs in plant genomes has been challenging. The totipotent nature of plant cells, coupled with inability to maintain plant cell types in culture and the inherent technical challenges posed by the cell wall have limited our understanding of how plant cell types acquire and maintain their identities and respond to the environment via CRE usage. Furthermore, advances in single cell epigenomics have revolutionized the field identifying cell-type-specific CREs. These new technologies have the potential to significantly advance our understanding of plant CRE biology, and shed light on how the regulatory genome gives rise to diverse plant phenomena. However, there are significant biological and computational challenges associated with analyzing single cell epigenomic datasets. In this review, we discuss the historical and foundational underpinnings of plant single-cell research, challenges and common pitfalls in analysis of plant single-cell epigenomic data, and highlight biological challenges unique to plants. Additionally, we discuss how the application of single-cell epigenomic data in various contexts stands to transform our understanding of the importance of CREs in plant genomes.

59 BASIC BIOLOGICAL SCIENCES↗

Earth System Grid Federation (ESGF) Compute Challenge

This Open Geospatial Consortium (OGC) Engineering Report (ER) describes the advancement of an Execution Management System (EMS) to support Web Processing Service (WPS) climate processes deployed on the Earth System Grid Federation (ESGF). The report introduces climate data, processes and applications into Common Workflow Language (CWL) workflows with the intent of advancing: application packaging, deployment and execution in clouds; interoperability of services in federated cyberinfrastructures; and geospatial workflows towards standardization. Work presented in this report is a direct continuation of the Earth Observation & Clouds (EOC) thread of Testbed-14. This report is expected to be of relevance to Testbed-15, both to the Earth Observation Process and Application Discovery (EOPAD) task and the Machine Learning task. This engineering report will describe: relevant work conducted in OGC Testbed-14; ESGF and its compute challenge; adaptations of existing climate processes into workflows; interoperability experiments with ESGF endpoints conforming to a common API.

54 ENVIRONMENTAL SCIENCES↗

Physical, numerical, and computational challenges of modeling neutrino transport in core-collapse supernovae

The proposal that core collapse supernovae are neutrino driven is still the subject of active investigation more than 50 years after the seminal paper by Colgate and White. The modern version of this paradigm, which we owe to Wilson, proposes that the supernova shock wave is powered by neutrino heating, mediated by the absorption of electron-flavor neutrinos and antineutrinos emanating from the proto-neutron star surface, or neutrinosphere. Neutrino weak interactions with the stellar core fluid, the theory of which is still evolving, are flavor and energy dependent. The associated neutrino mean free paths extend over many orders of magnitude and are never always small relative to the stellar core radius. Thus, neutrinos are never always fluid like. Instead, a kinetic description of them in terms of distribution functions that determine the number density of neutrinos in the six-dimensional phase space of position, direction, and energy, for both neutrinos and antineutrinos of each flavor, or in terms of angular moments of these neutrino distributions that instead provide neutrino number densities in the four-dimensional phase-space subspace of position and energy, is needed. In turn, the computational challenge is twofold: (i) to map the kinetic equations governing the evolution of these distributions or moments onto discrete representations that are stable, accurate, and, perhaps most important, respect physical laws such as conservation of lepton number and energy and the Fermi–Dirac nature of neutrinos and (ii) to develop efficient, supercomputer-architecture-aware solution methods for the resultant nonlinear algebraic equations. In this review, we present the current state of the art in attempts to meet this challenge.

79 ASTRONOMY AND ASTROPHYSICS↗

DUNE Software and Computing Challenges

The DUNE experiment will begin running in the late 2020's. The goals of the experiment include 1) studying neutrino oscillations using a beam of neutrinos from Fermilab in Illinois to the Sanford Underground Research Facility, 2) studying astrophysical neutrino sources and rare processes and 3) understanding the physics of neutrino interactions in matter. The DUNE Far Detector, consisting of four 17 kt LArTPC modules, will produce "events" rang-ing in size from 6 GBs to more than 100 TBs, posing unique challenges for DUNE software and computing. The data processing algorithms, particularly for raw data, drive the requirements for the future DUNE software framework documented here.

97 MATHEMATICS AND COMPUTING↗

Transient Simulations with a Large Penetration of Converter-Interfaced Generation: Scientific Computing Challenges and Opportunities

Current trends in energy systems point to renewable energy sources (RESs) and battery energy storage systems (BESSs) becoming prevalent in power system operations. As of writing this article, the United States has more than 37 GW of utility-scale solar capacity and an additional 112 GW under development. With the rapidly declining capital costs of many of these technologies, we can expect significant deployments in the coming years.

analytical models↗