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المؤلفون: George C. Schatz, Karol Kowalski, Prakash Verma, Roberto D. Lins, H. J. J. van Dam, D. M. A. Smith, Roberto Peverati, Aleksandr V. Marenich, Nicholas P. Bauman, M. Krishnan, Wan Yong Ma, Chan-Shan Yang, Y. Chen, Rika Kobayashi, T. Pirojsirikul, Lasse Jensen, Daniel R. Nascimento, Michael Klemm, So Hirata, Yan Zhao, M. J. O. Deegan, Kenneth Lopata, Daniel Mejía-Rodríguez, Benny G. Johnson, Jiri Pittner, Kiril Tsemekhman, Edoardo Aprà, W. A. de Jong, Kimihiko Hirao, Jorge Garza, Theresa L. Windus, Oreste Villa, Soumen Ghosh, Jeffery S. Boschen, Eric D. Hermes, K. Bhaskaran-Nair, J. Martin del Campo, Krzysztof Wolinski, Daniel W. Silverstein, Kenneth G. Dyall, J. Anchell, Qin Wu, Gennady N. Chuev, L. Pollack, J. Nieplocha, Stuart Bogatko, Christopher J. Cramer, Duo Song, P. Sadayappan, Jeffrey C. Becca, Abhinav Vishnu, Yuri Alexeev, Eric J. Bylaska, Thom H. Dunning, Piotr Borowski, Vinod Tipparaju, Jeffrey A. Nichols, T. P. Straatsma, Alberto Otero-de-la-Roza, T. Van Voorhis, Jeff Daily, Donald G. Truhlar, Emilie Cauet, Jochen Autschbach, Marcel Swart, V. Konkov, G. S. Thomas, Rik J. Littlefield, Justin E. Moore, Zhiyong Zhang, Kurt R. Glaesemann, Q. Yu, Nitin A. Gawande, Bruce J. Palmer, Zijing Lin, Raymond Atta-Fynn, Fredy W. Aquino, Laura Gagliardi, Marat Valiev, Adam Bruner, Ricky A. Kendall, Jonathan M. Mullin, Andreas W. Götz, Dunyou Wang, Ryan M. Richard, V. Anisimov, Mathias Jacquelin, P. J. Nichols, Martin Zacharias, Takahito Nakajima, Jiří Brabec, David E. Bernholdt, George I. Fann, Ajay Panyala, Michel Dupuis, Andrew J. Logsdail, Thereza A. Soares, A. T. Wong, Mark J. Williamson, Hannes Jónsson, Alexandr Fonari, Robert W. Harrison, H. L. Taylor, Herbert A. Früchtl, William A. Shelton, Sriram Krishnamoorthy, Bo Peng, Sean A. Fischer, Niranjan Govind, Álvaro Vázquez-Mayagoitia, Konstantinos D. Vogiatzis, Volkhard Helms, Jeff R. Hammond, John H. Weare
المساهمون: University of St Andrews. School of Chemistry, University of St Andrews. EaSTCHEM
المصدر: The Journal of Chemical Physics, 2020, vol. 152, núm. 18, p. 182102
Articles publicats (D-Q)
DUGiDocs – Universitat de Girona
instname
Scopus
RUO. Repositorio Institucional de la Universidad de Oviedo
Universidad de las Islas Balearesمصطلحات موضوعية: Chemical Physics (physics.chem-ph), 010304 chemical physics, Chemistry -- Data processing, Suite, Parallel algorithm, NDAS, General Physics and Astronomy, Design elements and principles, FOS: Physical sciences, Computational Physics (physics.comp-ph), 010402 general chemistry, QD Chemistry, 01 natural sciences, Química -- Informàtica, 0104 chemical sciences, Outreach, Química -- Simulació per ordinador, Physics - Chemical Physics, 0103 physical sciences, Systems engineering, QD, Physical and Theoretical Chemistry, Physics - Computational Physics, Chemistry -- Computer simulation, Electronic properties
وصف الملف: application/pdf
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المؤلفون: Ricky A. Kendall, Krzysztof Parzyszek, Robyn R. Lutz
مصطلحات موضوعية: Distributed shared memory, Computer science, Fortran, C dynamic memory allocation, SHMEM, Programming paradigm, Partitioned global address space, Parallel computing, Supercomputer, Porting, computer, computer.programming_language
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::63bc24ea58857bb55e3b96ebb6f72a00
https://doi.org/10.31274/rtd-180813-15336 -
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المؤلفون: Zhao Zhang, Ricky A. Kendall, Meng-Shiou Wu
مصطلحات موضوعية: Structure (mathematical logic), Hierarchy, Shared memory, Computer science, Component (UML), Distributed computing, Process (computing), Cluster (physics), Architecture, Implementation
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::bffed55ec5e772955acce11ce2adad51
https://doi.org/10.31274/rtd-180813-15408 -
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المصدر: Journal of Chemical Theory and Computation. 3:1312-1328
مصطلحات موضوعية: Coupled cluster, Shared memory, Computer science, Node (networking), Process (computing), Basis function, Distributed memory, Multiprocessing, Parallel computing, Physical and Theoretical Chemistry, Massively parallel, Computer Science Applications
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المصدر: Computer Physics Communications. 176:589-600
مصطلحات موضوعية: Coupled cluster, Shared memory, Hardware and Architecture, Computer science, Distributed algorithm, Suite, Parallel algorithm, General Physics and Astronomy, Overhead (computing), GAMESS, Parallel computing, Computational problem, Algorithm
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المؤلفون: Zhengting Gan, Mark S. Gordon, Yuri Alexeev, Ricky A. Kendall
المصدر: DOE / OSTI
مصطلحات موضوعية: Workstation, Computer science, General Physics and Astronomy, Parallel computing, Full configuration interaction, Field (computer science), law.invention, Parallel processing (DSP implementation), law, Scalability, Network performance, Physical and Theoretical Chemistry, Implementation, Electronic data interchange
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المؤلفون: Ricky A. Kendall, Mark S. Gordon, Yuri Alexeev
المصدر: Computer Physics Communications. 143:69-82
مصطلحات موضوعية: Hardware and Architecture, Computer science, Computer cluster, Network communication, Data analysis, Dynamic load balancing, General Physics and Astronomy, Benchmarking, Parallel computing, Load balancing (computing), Calculation methods, Fock space
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المؤلفون: Jeffrey A. Nichols, Edoardo Aprà, David E. Bernholdt, Ricky A. Kendall, Jialin Ju, Jarek Nieplocha, T.P. Straatsma, Eric J. Bylaska, George I. Fann, Theresa L. Windus, Adrian T. Wong, Robert W. Harrison, Michel Dupuis
المصدر: Computer Physics Communications, vol 128, iss 1-2
مصطلحات موضوعية: Computer science, business.industry, physics.chem-ph, Global Arrays, General Physics and Astronomy, Bioengineering, Software package, Nuclear & Particles Physics, Mathematical Sciences, Computational science, Software portability, Software, physics.comp-ph, Hardware and Architecture, Computational chemistry, Information and Computing Sciences, Physical Sciences, business, Massively parallel
وصف الملف: application/pdf
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المؤلفون: Albert F. Wagner, Mike Minkoff, Ron Shepard, Paul Sutton, Ricky A. Kendall, Robert W. Harrison, Adrian T. Wong, Jeffrey L. Tilson
المصدر: The International Journal of High Performance Computing Applications. 13:291-302
مصطلحات موضوعية: 020203 distributed computing, Computer science, Hartree–Fock method, 010103 numerical & computational mathematics, 02 engineering and technology, Parallel computing, Electronic structure, 01 natural sciences, Square (algebra), Theoretical Computer Science, Computational science, Parallel processing (DSP implementation), Hardware and Architecture, 0202 electrical engineering, electronic engineering, information engineering, 0101 mathematics, Massively parallel, Software
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::f6b88ea20c2df49de719407c08784435
https://doi.org/10.1177/109434209901300401 -
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المؤلفون: Robert W. Harrison, Jeffrey L. Tilson, Ron Shepard, Albert F. Wagner, Rik J. Littlefield, Ricky A. Kendall, Ian Foster
المصدر: Journal of Computational Chemistry. 17:109-123
مصطلحات موضوعية: Analysis of parallel algorithms, Computer science, Computation, Parallel algorithm, General Chemistry, Parallel computing, Fock space, Computational science, Computational Mathematics, Fock matrix, Scalability, Cluster analysis, Massively parallel, Algorithm
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::dba2ec9fb3c08b864f6744d4f481c3a8
https://doi.org/10.1002/(sici)1096-987x(19960115)17:1<109::aid-jcc9>3.0.co;2-v