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检索条件"机构=Centre For Parallel Computing Computing"
275 条 记 录,以下是31-40 订阅
排序:
CP2K: An electronic structure and molecular dynamics software package quickstep: Efficient and accurate electronic structure calculations
arXiv
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arXiv 2020年
作者: Kühne, Thomas D. Iannuzzi, Marcella Ben, Mauro Del Rybkin, Vladimir V. Seewald, Patrick Stein, Frederick Laino, Teodoro Khaliullin, Rustam Z. Schütt, Ole Schiffmann, Florian Golze, Dorothea Wilhelm, Jan Chulkov, Sergey Bani-Hashemian, Mohammad Hossein Weber, Valéry Borštnik, Urban Taillefumier, Mathieu Jakobovits, Alice Shoshana Lazzaro, Alfio Pabst, Hans Müller, Tiziano Schade, Robert Guidon, Manuel Andermatt, Samuel Holmberg, Nico Schenter, Gregory K. Hehn, Anna Bussy, Augustin Belleflamme, Fabian Tabacchi, Gloria Glöß, Andreas Lass, Michael Bethune, Iain Mundy, Christopher J. Plessl, Christian Watkins, Matt VandeVondele, Joost Krack, Matthias Hutter, Jürg Dynamics of Condensed Matter and Center for Sustainable Systems Design Chair of Theoretical Chemistry Paderborn University Warburger Str. 100 PaderbornD-33098 Germany Department of Chemistry University of Zurich Winterthurerstrasse 190 ZürichCH-8057 Switzerland Computational Research Division Lawrence Berkeley National Laboratory BerkeleyCA94720 United States IBM Research - Zurich Säumerstrasse 4 RüschlikonCH-8803 Switzerland Department of Chemistry McGill University CH-801 Sherbrooke St. West MontrealQCH3A 0B8 Canada Department of Materials ETH Zürich ZürichCH-8092 Switzerland Centre of Policy Studies Victoria University Melbourne Australia Department of Applied Physics Aalto University Otakaari 1 EspooFI-02150 Finland Institute of Theoretical Physics University of Regensburg Universitätsstraße 31 RegensburgD-93053 Germany School of Mathematics and Physics University of Lincoln Brayford Pool Lincoln United Kingdom Integrated Systems Laboratory ETH Zürich ZürichCH-8092 Switzerland Scientific IT Services ETH Zürich Zürich Switzerland ETH Zürich HPE Switzerland GmbH Basel Switzerland Intel Extreme Computing Software and Systems Zürich Switzerland Department of Computer Science and Paderborn Center for Parallel Computing Paderborn University Warburger Str. 100 PaderbornD-33098 Germany Department of Chemistry and Materials Science Aalto University P.O. Box 16100 Aalto00076 Finland Physical Science Division Pacific Northwest National Laboratory P. O. Box 999 RichlandWA99352 United States Department of Science and High Technology University of Insubria INSTM via Valleggio 9 ComoI-22100 Italy BASF SE Carl-Bosch-Straße 38 Ludwigshafen am RheinD-67056 Germany Hartree Centre Science and Technology Facilities Council United Kingdom Laboratory for Scientific Computing and Modelling Paul Scherrer Institute Villigen PSICH-5232 Switzerland
CP2K is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular and biological systems. It is especially aimed at massively-parall... 详细信息
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MiCADO - Towards a microservice-based cloud application-level dynamic orchestrator  8
MiCADO - Towards a microservice-based cloud application-leve...
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8th International Workshop on Science Gateways, IWSG 2016
作者: Visti, Hannu Kiss, Tamas Terstyanszky, Gabor Gesmier, Gregoire Winter, Stephen Centre for Parallel Computing University of Westminster London United Kingdom
In order to satisfy end-user requirements, many scientific and commercial applications require access to dynamically adjustable infrastructure resources. Cloud computing has the potential to provide these dynamic capa... 详细信息
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Roadmap on Electronic Structure Codes in the Exascale Era
arXiv
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arXiv 2022年
作者: Gavini, Vikram Baroni, Stefano Blum, Volker Bowler, David R. Buccheri, Alexander Chelikowsky, James R. Das, Sambit Dawson, William Delugas, Pietro Dogan, Mehmet Draxl, Claudia Galli, Giulia Genovese, Luigi Giannozzi, Paolo Giantomassi, Matteo Gonze, Xavier Govoni, Marco Gulans, Andris Gygi, François Herbert, John M. Kokott, Sebastian Kühne, Thomas D. Liou, Kai-Hsin Miyazaki, Tsuyoshi Motamarri, Phani Nakata, Ayako Pask, John E. Plessl, Christian Ratcliff, Laura E. Richard, Ryan M. Rossi, Mariana Schade, Robert Scheffler, Matthias Schütt, Ole Suryanarayana, Phanish Torrent, Marc Truflandier, Lionel Windus, Theresa L. Xu, Qimen Yu, Victor W.-Z. Perez, Danny Department of Mechanical Engineering University of Michigan Ann ArborMI48109 United States SISSA ISAS Trieste Trieste34136 Italy IOM-CNR Trieste Trieste34136 Italy Duke University DurhamNC27708 United States London Centre for Nanotechnology LondonWC1H 0AH United Kingdom WPI-MANA National Institute for Materials Science Ibaraki305-0044 Japan Humboldt-Universität zu Berlin Berlin10117 Germany McKetta Department of Chemical Engineering University of Texas at Austin AustinTX78712 United States Center for Computational Materials Oden Institute University of Texas at Austin AustinTX78712 United States Department of Physics University of Texas at Austin AustinTX78712 United States RIKEN Center for Computational Science Hyogo Kobe650-0047 Japan Pritzker School of Molecular Engineering University of Chicago ChicagoIL60637 United States Materials Science Division Argonne National Laboratory LemontIL60439 United States Université Grenoble Alpes MEM L_Sim GrenobleF-38000 France University of Udine Udine33100 Italy IMCN Université catholique de Louvain Louvain-la-neuve Belgium University of Latvia RīgaLV-1586 Latvia University of California DavisCA95616 United States Department of Chemistry & Biochemistry The Ohio State University ColumbusOH43210 United States Berlin14195 Germany Dynamics of Condensed Matter Center for Sustainable Systems Design Chair of Theoretical Chemistry Paderborn University D-33098 Germany Paderborn Center for Parallel Computing Paderborn University D-33098 Germany Department of Computational and Data Sciences Indian Institute of Science Karnataka Bengaluru560012 India Lawrence Livermore National Laboratory LivermoreCA94550 United States Department of Computer Science Paderborn University D-33098 Germany Centre for Computational Chemistry School of Chemistry University of Bristol BristolBS8 1TS United Kingdom Ames National Laboratory AmesIA50011 United States Iowa State University AmesIA50
Electronic structure calculations have been instrumental in providing many important insights into a range of physical and chemical properties of various molecular and solid-state systems. Their importance to various ... 详细信息
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Design choices for productive, secure, data-intensive research at scale in the cloud
arXiv
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arXiv 2019年
作者: Arenas, Diego Atkins, Jon Austin, Claire Beavan, David Egea, Alvaro Cabrejas Carlysle-Davies, Steven Carter, Ian Clarke, Rob Cunningham, James Doel, Tom Forrest, Oliver Gabasova, Evelina Geddes, James Hetherington, James Jersakova, Radka Kiraly, Franz Lawrence, Catherine Manser, Jules O'Reilly, Martin T. Robinson, James Sherwood-Taylor, Helen Tierney, Serena Vallejos, Catalina A. Vollmer, Sebastian Whitaker, Kirstie University of St Andrews KY16 9SX United Kingdom Alan Turing Institute 96 Euston Rd Kings Cross LondonNW1 2DB United Kingdom MRC Human Genetics Unit Institute of Genetics & Molecular Medicine University of Edinburgh Western General Hospital Crewe Road EdinburghEH4 2XU United Kingdom Department of Psychiatry University of Cambridge Herchel Smith Buidling for Brain & Mind Sciences Forvie Site Robinson Way CambridgeCB2 0SZ United Kingdom VWV LLP 24 King William Street LondonEC4R 9AT United Kingdom Division of Informatics Imaging and Data Sciences School of Health Sciences Faculty of Biology Medicine and Health University of Manchester Oxford Road ManchesterM13 9PL United Kingdom Warwick Mathematics Institute Department of Statistics University of Warwick CV4 7AL United Kingdom MathSys Centre for Doctoral Training Warwick Mathematics Institute University of Warwick CV4 7AL United Kingdom British Library 96 Euston Road LondonNW1 2DB United Kingdom Edinburgh Parallel Computing Centre University of Edinburgh Bayes Centre 47 Potterrow EdinburghEH8 9BT United Kingdom
We present a policy and process framework for secure environments for productive data science research projects at scale, by combining prevailing data security threat and risk profiles into five sensitivity tiers, and... 详细信息
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Verification of Electromagnetic Physics Models for parallel computing Architectures in the GeantV Project
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Journal of Physics: Conference Series 2017年 第4期898卷
作者: G Amadio J Apostolakis M Bandieramonte S P Behera R Brun P Canal F Carminati G Cosmo L Duhem D Elvira G Folger A Gheata M Gheata I Goulas F Hariri S Y Jun D Konstantinov H Kumawat V Ivantchenko G Lima T Nikitina M Novak W Pokorski A Ribon R Seghal O Shadura S Vallecorsa S Wenzel Parallel Computing Center at Sao Paulo State University (UNESP) Sao Paulo Brazil CERN Route de Meyrin Meyrin Switzerland Bhabha Atomic Research Centre (BARC) Mumbai India Fermilab MS234 P.O. Box 500 Batavia IL 60510 USA Intel Corporation Santa Clara CA 95052 USA Institute of Space Sciences Bucharest-Magurele Romania
An intensive R&D and programming effort is required to accomplish new challenges posed by future experimental high-energy particle physics (HEP) programs. The GeantV project aims to narrow the gap between the perf...
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Multi-scale CAFE Framework for Simulating Fracture in Heterogeneous Materials Implemented in Fortran Co-arrays and MPI
Multi-scale CAFE Framework for Simulating Fracture in Hetero...
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PGAS Applications Workshop (PAW)
作者: Anton Shterenlikht Lee Margetts Jose D. Arregui-Mena Luis Cebamanos Mech Eng Dept The University of Bristol Bristol UK School of Mechanical The University of Manchester Manchester UK Edinburgh Parallel Computing Centre (EPCC) The University of Edinburgh Edinburgh UK
Fortran coarrays have been used as an extension to the standard for over 20 years, mostly on Cray systems. Their appeal to users increased substantially when they were standardised in 2010. In this work we show that c... 详细信息
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Pulsar Searches with the SKA
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Proceedings of the International Astronomical Union 2017年 第S337期13卷 171-174页
作者: Levin, L. Armour, W. Baffa, C. Barr, E. Cooper, S. Eatough, R. Ensor, A. Giani, E. Karastergiou, A. Karuppusamy, R. Keith, M. Kramer, M. Lyon, R. Mackintosh, M. Mickaliger, M. Van Nieuwpoort, R Pearson, M. Prabu, T. Roy, J. Sinnen, O. Spitler, L. Spreeuw, H. Stappers, B.W. Van Straten, W. Williams, C. Wang, H. Wiesner, K. Jodrell Bank Centre for Astrophysics University of Manchester Oxford Road Manchester M13 9PL United Kingdom University of Oxford Denys Wilkinson Building Keble Road Oxford OX1 3RH United Kingdom INAF Osservatorio Astrofisico di Arcetri Largo E. Fermi 5 Firenze 50125 Italy Max-Planck-Institut fur Radioastronomie Auf dem Hügel 69 Bonn D-53121 Germany Institute for Radio Astronomy and Space Research Auckland University of Technology Private Bag 92006 Auckland 1142 New Zealand Science and Technology Facilities Council Polaris House North Star Avenue Swindon SN2 1SZ United Kingdom Netherlands Institute for Radio Astronomy (ASTRON) Postbus 2 Dwingeloo NL-7990 AA Netherlands NCRA-TIFR Pune University Campus Pune 411007 India Parallel and Reconfigurable Computing (PARC) Lab University of Auckland Private Bag 92019 Auckland 1142 New Zealand
The Square Kilometre Array will be an amazing instrument for pulsar astronomy. While the full SKA will be sensitive enough to detect all pulsars in the Galaxy visible from Earth, already with SKA1, pulsar searches wil... 详细信息
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Development of cloud software services for computational analysis of blood flows
Development of cloud software services for computational ana...
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作者: Kaceniauskas, A. Pacevic, R. Staškuniene, M. Starikovicius, V. Davidavicius, G. Laboratory of Parallel Computing Vilnius Gediminas Technical University Lithuania Centre of Cardiology and Angiology Vilnius University Hospital Santariškiu Klinikos Lithuania
This paper presents the development of the cloud software services for computational analysis of blood flows on a private university cloud. The main focus is on the software service level built on the top of the compu... 详细信息
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Stochastic optimization of GeantV code by use of genetic algorithms
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Journal of Physics: Conference Series 2017年 第4期898卷
作者: G. Amadio J. Apostolakis M. Bandieramonte S.P. Behera R. Brun P. Canal F. Carminati G. Cosmo L. Duhem D. Elvira G. Folger A. Gheata M. Gheata I. Goulas F. Hariri S.Y. Jun D. Konstantinov H. Kumawat V. Ivantchenko G. Lima T. Nikitina M. Novak W. Pokorski A. Ribon R. Seghal O. Shadura S. Vallecorsa S. Wenzel Parallel Computing Center at Sao Paulo State University (UNESP) Sao Paulo Brazil CERN Route de Meyrin Meyrin Switzerland Bhabha Atomic Research Centre (BARC) Mumbai India Fermilab MS234 P.O. Box 500 Batavia IL 60510 USA Intel Corporation Santa Clara CA 95052 USA Institute of Space Sciences Bucharest-Magurele Romania
GeantV is a complex system based on the interaction of different modules needed for detector simulation, which include transport of particles in fields, physics models simulating their interactions with matter and a g...
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Performance of GeantV EM Physics Models
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Journal of Physics: Conference Series 2017年 第7期898卷
作者: G Amadio A Ananya J Apostolakis A Aurora M Bandieramonte A Bhattacharyya C Bianchini R Brun P Canal F Carminati G Cosmo L Duhem D Elvira G Folger A Gheata M Gheata I Goulas R Iope S Y Jun G Lima A Mohanty T Nikitina M Novak W Pokorski A Ribon R Seghal O Shadura S Vallecorsa S Wenzel Y Zhang Parallel Computing Center at São Paulo State University (UNESP) São Paulo Brazil CERN EP Department Geneva Switzerland Bhabha Atomic Research Centre (BARC) Mumbai India Mackenzie Presbyterian University São Paulo Brazil Fermilab† MS234 P.O. Box 500 Batavia IL 60510 USA Intel Corporation Santa Clara CA 95052 USA Institute of Space Sciences Bucharest-Magurele Romania
The recent progress in parallel hardware architectures with deeper vector pipelines or many-cores technologies brings opportunities for HEP experiments to take advantage of SIMD and SIMT computing models. Launched in ...
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