Now showing 1 - 2 of 2
  • Publication
    Metadata only
    Semantic interoperability and characterization of data provenance in computational molecular engineering
    (2019-07-29)
    Horsch, M. T.
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    Niethammer, C.
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    Boccardo, G.
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    Carbone, P.
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    Chiacchiera, S.
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    Chiricotto, M.
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    Elliott, J. D.
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    Lobaskin, V.
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    Schiffels, P.
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    Seaton, M. A.
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    Todorov, I. T.
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    Vrabec, J.
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    Cavalcanti, W. L.
    By introducing a common representational system for metadata that describe the employed simulation workflows, diverse sources of data and platforms in computational molecular engineering, such as workflow management systems, can become interoperable at the semantic level. To achieve semantic interoperability, the present work introduces two ontologies that provide a formal specification of the entities occurring in a simulation workflow and the relations between them: The software ontology VISO is developed to represent software packages and their features, and OSMO, an ontology for simulation, modelling, and optimization, is introduced on the basis of MODA, a previously developed semi-intuitive graph notation for workflows in materials modelling. As a proof of concept, OSMO is employed to describe a use case of the TaLPas workflow management system, a scheduler and workflow optimizer for particle-based simulations.
  • Publication
    Metadata only
    DYAMOND: the DYnamics of the Atmospheric general circulation Modeled On Non-hydrostatic Domains
    (2019)
    Stevens, Bjorn
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    Satoh, Masaki
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    Auger, Ludovic
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    Biercamp, Joachim
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    Bretherton, Christopher S.
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    Chen, Xi
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    Düben, Peter
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    Judt, Falko
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    Khairoutdinov, Marat
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    Klocke, Daniel
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    Kodama, Chihiro
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    Kornblueh, Luis
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    Lin, Shian Jiann
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    Putman, William M.
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    Röber, Niklas
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    Shibuya, Ryosuke
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    Vanniere, Benoit
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    Vidale, Pier Luigi
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    Wedi, Nils
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    Zhou, Linjiong
    A review of the experimental protocol and motivation for DYAMOND, the first intercomparison project of global storm-resolving models, is presented. Nine models submitted simulation output for a 40-day (1 August–10 September 2016) intercomparison period. Eight of these employed a tiling of the sphere that was uniformly less than 5 km. By resolving the transient dynamics of convective storms in the tropics, global storm-resolving models remove the need to parameterize tropical deep convection, providing a fundamentally more sound representation of the climate system and a more natural link to commensurately high-resolution data from satellite-borne sensors. The models and some basic characteristics of their output are described in more detail, as is the availability and planned use of this output for future scientific study. Tropically and zonally averaged energy budgets, precipitable water distributions, and precipitation from the model ensemble are evaluated, as is their representation of tropical cyclones and the predictability of column water vapor, the latter being important for tropical weather. [Figure not available: see fulltext.].