المؤلفون: Anton Afanasyev, Mauro Bianco, Lukas Mosimann, Carlos Osuna, Felix Thaler, Hannes Vogt, Oliver Fuhrer, Joost VandeVondele, Thomas C. Schulthess

المصدر: SoftwareX, Vol 15, Iss , Pp 100707- (2021)

مصطلحات موضوعية: C++, Weather, Climate, Library, Embedded DSL, Computer software, QA76.75-76.765

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2352711021000522; https://doaj.org/toc/2352-7110

URL الوصول: https://doaj.org/article/dbf7b1902e9045738d27aacdb5d10bff

المؤلفون: Evgenii O. Fetisov, I-Feng William Kuo, Chris Knight, Joost VandeVondele, Troy Van Voorhis, J. Ilja Siepmann

المصدر: ACS Central Science, Vol 2, Iss 6, Pp 409-415 (2016)

مصطلحات موضوعية: Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2374-7943; https://doaj.org/toc/2374-7951

URL الوصول: https://doaj.org/article/87dd4f70913f48669ee1891d8251a4dc

المؤلفون: Mateusz L. Donten, Joost VandeVondele, Peter Hamm

المصدر: CHIMIA, Vol 66, Iss 4 (2012)

مصطلحات موضوعية: Neutralization, O-nitrobenzaldehyde, Ph-jump, Ph-relaxation, Proton release, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://www.chimia.ch/chimia/article/view/5185; https://doaj.org/toc/0009-4293; https://doaj.org/toc/2673-2424

URL الوصول: https://doaj.org/article/e504852759b54bd08afa8b537458b2a2

المؤلفون: Joost VandeVondele, Marialore Sulpizi, Michiel Sprik

المصدر: CHIMIA, Vol 61, Iss 4 (2007)

مصطلحات موضوعية: Density functional theory, Electron transfer, Marcus theory, Molecular dynamics, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://chimia.ch/chimia/article/view/4298; https://doaj.org/toc/0009-4293; https://doaj.org/toc/2673-2424

URL الوصول: https://doaj.org/article/86ddded51d4648d5a2eda846fead6e7e

المؤلفون: Maria Carola Colombo, Martin Zumstein, Joost VandeVondele, Marialore Sulpizi, Katrin Spiegel, Ute Röhrig, Stefano Piana, Patrick Maurer, Alessandra Magistrato, Alessandro Laio, Leonardo Guidoni, Ursula Röthlisberger

المصدر: CHIMIA, Vol 56, Iss 1-2 (2002)

مصطلحات موضوعية: Car-parrinello first-principles molecular dynamics, Computational chemistry, Enantioselective catalysis, Enzymatic reactions, Qm/mm simulations, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://chimia.ch/chimia/article/view/3547; https://doaj.org/toc/0009-4293; https://doaj.org/toc/2673-2424

URL الوصول: https://doaj.org/article/5102270b984c4ae387e77a374f58c0b7

المؤلفون: Alex Upton, Joost VandeVondele, Fabio Affinito

مصطلحات موضوعية: Deliverable, HPC, Research infrastructure

Relation: https://zenodo.org/communities/prace; https://zenodo.org/communities/eu; https://doi.org/10.5281/zenodo.10204269; https://doi.org/10.5281/zenodo.10204270; oai:zenodo.org:10204270

الاتاحة: https://doi.org/10.5281/zenodo.10204270

المؤلفون: Fabio Affinito, Joost VandeVondele, Alex Upton

مصطلحات موضوعية: Deliverable, HPC, Research infrastructure

Relation: https://zenodo.org/communities/prace; https://zenodo.org/communities/eu; https://doi.org/10.5281/zenodo.10204245; https://doi.org/10.5281/zenodo.10204246; oai:zenodo.org:10204246

الاتاحة: https://doi.org/10.5281/zenodo.10204246

المؤلفون: Fabio Affinito, Joost VandeVondele, Alex Upton

مصطلحات موضوعية: Deliverable, HPC, Research infrastructure, Exascale, Forward-looking software solutions

Relation: https://zenodo.org/communities/prace; https://zenodo.org/communities/eu; https://doi.org/10.5281/zenodo.7461715; https://doi.org/10.5281/zenodo.7461716; oai:zenodo.org:7461716

الاتاحة: https://doi.org/10.5281/zenodo.7461716

المؤلفون: Joost VandeVondele

مصطلحات موضوعية: Deliverable, HPC, Research infrastructure, Exascale, Forward-looking software solutions

Relation: https://zenodo.org/communities/prace; https://zenodo.org/communities/eu; https://doi.org/10.5281/zenodo.7461711; https://doi.org/10.5281/zenodo.7461712; oai:zenodo.org:7461712

الاتاحة: https://doi.org/10.5281/zenodo.7461712

المؤلفون: Fabio Affinito, Joost VandeVondele

مصطلحات موضوعية: Deliverable, HPC, Research infrastructure, Exascale, Forward-looking software solutions

Relation: https://zenodo.org/communities/prace; https://zenodo.org/communities/eu; https://doi.org/10.5281/zenodo.7461713; https://doi.org/10.5281/zenodo.7461714; oai:zenodo.org:7461714

الاتاحة: https://doi.org/10.5281/zenodo.7461714

المؤلفون: Vladimir V. Rybkin, Joost VandeVondele, Jan Wilhelm

المساهمون: University of Zurich, Rybkin, Vladimir V

المصدر: Angewandte Chemie (International Ed. in English)
Angewandte Chemie. International Edition, 58 (12)

مصطلحات موضوعية: 10120 Department of Chemistry, Materials science, 1503 Catalysis, Hydrated Electrons | Very Important Paper, 1600 General Chemistry, Electronic structure, Electron, 010402 general chemistry, Solvated electron, 01 natural sciences, Gyration, Catalysis, quantum chemistry, Molecular dynamics, 540 Chemistry, 0103 physical sciences, Molecule, radical chemistry, Physics::Chemical Physics, Wave function, 010304 chemical physics, 010405 organic chemistry, Communication, ab initio molecular dynamics, General Medicine, General Chemistry, Radius, Communications, 0104 chemical sciences, Ab initio molecular dynamics, Hydrated electrons, Many-body electronic structure theory, Quantum chemistry, Radical chemistry, Chemical physics, hydrated electrons, many-body electronic structure theory

وصف الملف: application/application/pdf; anie.201814053.pdf - application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::56dc69a2403bd00cf866ab12fa73a441
https://doi.org/10.1002/anie.201814053

المؤلفون: Grzegorz Kwasniewski, Timo Schneider, André Gaillard, Joost VandeVondele, Maciej Besta, Alexandros Nikolaos Ziogas, Tal Ben-Nun, Torsten Hoefler, Marko Kabić, Jens Eirik Saethre, Anton Kozhevnikov

المصدر: SC
Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis (SC '21)

مصطلحات موضوعية: FOS: Computer and information sciences, Computer science, 010103 numerical & computational mathematics, 0102 computer and information sciences, Parallel computing, Computational Complexity (cs.CC), 01 natural sciences, Matrix decomposition, Matrix (mathematics), Code (cryptography), 0101 mathematics, Communication complexity, Computer Science - Performance, Matrix factorization, Supercomputer, Parallel I/O, Performance (cs.PF), Computer Science - Computational Complexity, Computer Science - Distributed, Parallel, and Cluster Computing, 010201 computation theory & mathematics, Linear algebra, Distributed linear algebra algorithms, Distributed, Parallel, and Cluster Computing (cs.DC), Cholesky decomposition

وصف الملف: application/application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d07788117874f4a8d7c8aece9b843afa
http://arxiv.org/abs/2108.09337

المؤلفون: Simon Pintarelli, Anton Kozhevnikov, Marko Kabić, Joost VandeVondele

المصدر: Lecture Notes in Computer Science ISBN: 9783030787127

مصطلحات موضوعية: Computer science, Transpose, Linear algebra, Linear assignment, Key (cryptography), Process (computing), Distributed memory, CP2K, Algorithm

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::ebeacd14ebd1ee99e15102a66754ec44
https://doi.org/10.1007/978-3-030-78713-4_12

المؤلفون: Rolf Krause, Maria Giuseppina Chiara Nestola, Patrick Zulian, Alena Kopaničáková, Nur Aiman Fadel, Joost VandeVondele, Andreas Fink

المصدر: Ccf Transactions on High Performance Computing
CCF Transactions on High Performance Computing, 3 (4)

مصطلحات موضوعية: FOS: Computer and information sciences, Source lines of code, Scale (ratio), Multilevel methods, Computer science, FOS: Physical sciences, Phase field models, Parallel computing, Field (computer science), Parallel implementation, Scientific code, Non-convex minimization, Phase-field fracture propagation, monolithic solution scheme, FOS: Mathematics, Code (cryptography), Regular Paper, Mathematics - Numerical Analysis, General Environmental Science, Computer simulation, Numerical Analysis (math.NA), Computational Physics (physics.comp-ph), Computer Science - Distributed, Parallel, and Cluster Computing, Fracture (geology), General Earth and Planetary Sciences, Distributed, Parallel, and Cluster Computing (cs.DC), Minification, Physics - Computational Physics

وصف الملف: application/application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::26a332afdf39644ccb821c97472b761e
http://arxiv.org/abs/2007.12908

المؤلفون: Aleix Comas-Vives, C. S. Praveen, Joost VandeVondele, Christophe Copéret

المصدر: Organometallics. 36:4908-4919

مصطلحات موضوعية: inorganic chemicals, Reaction mechanism, 010405 organic chemistry, Ligand, Organic Chemistry, 010402 general chemistry, Ring (chemistry), 01 natural sciences, 0104 chemical sciences, Pincer movement, Catalysis, Inorganic Chemistry, chemistry.chemical_compound, chemistry, Computational chemistry, Pyridine, Molecule, Formate, Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::a51b6e577c0b0f6c0b02376e48e58c6c
https://doi.org/10.1021/acs.organomet.7b00761

المؤلفون: Waiz Karim, Jeroen A. van Bokhoven, Yasin Ekinci, Joost VandeVondele, Clelia Spreafico

المصدر: The Journal of Physical Chemistry C, 121 (33)

مصطلحات موضوعية: Materials science, Hydrogen, Hydride, Inorganic chemistry, chemistry.chemical_element, 02 engineering and technology, Electronic structure, 010402 general chemistry, 021001 nanoscience & nanotechnology, Platinum nanoparticles, 01 natural sciences, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, General Energy, Adsorption, chemistry, Chemical engineering, Aluminium, Molecule, Physical and Theoretical Chemistry, 0210 nano-technology, Platinum

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e6e033812ab160e0d1fdd60cf5a22c39
https://doi.org/10.1021/acs.jpcc.7b03733

المؤلفون: Joost VandeVondele, Vladimir V. Rybkin

المصدر: The Journal of Physical Chemistry Letters. 8:1424-1428

مصطلحات موضوعية: Aqueous solution, 010304 chemical physics, Chemistry, Thermodynamic integration, Absolute value, 01 natural sciences, Redox, Solvent, Molecular dynamics, Electron affinity, Quantum mechanics, 0103 physical sciences, General Materials Science, Physical and Theoretical Chemistry, 010306 general physics, Quantum

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ba671775f2a094313d65a2eb6f521dfc
https://doi.org/10.1021/acs.jpclett.7b00386

المؤلفون: Grzegorz Kwasniewski, Maciej Besta, Marko Kabić, Torsten Hoefler, Joost VandeVondele, Raffaele Solcà

المساهمون: Taufer, Michela, Balaji, Pavan, Peña, Antonio J.

المصدر: SC
Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis
Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis (SC '19)

مصطلحات موضوعية: FOS: Computer and information sciences, 020203 distributed computing, Multiplication algorithm, Computer Science - Performance, ScaLAPACK, Computer science, 0102 computer and information sciences, 02 engineering and technology, Computational Complexity (cs.CC), 01 natural sciences, Constructive, Upper and lower bounds, Matrix multiplication, Performance (cs.PF), Matrix (mathematics), Computer Science - Computational Complexity, Computer Science - Distributed, Parallel, and Cluster Computing, 010201 computation theory & mathematics, 0202 electrical engineering, electronic engineering, information engineering, Distributed, Parallel, and Cluster Computing (cs.DC), Algorithm

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::43f51227fa7fc9cdcb71d021b5d3d29e
http://arxiv.org/abs/1908.09606

المؤلفون: Patrick Zulian, Alena Kopanicakova, Maria Giuseppina Chiara Nestola, Andreas Fink, Nur Aiman Fadel, Joost VandeVondele, Rolf Krause

مصطلحات موضوعية: parallel implementation, scientific code, non-convex minimization, multilevel methods, phase-field fracturepropagation, monolithic solution scheme

Relation: https://bitbucket.org/zulianp/utopia/src/; https://zenodo.org/communities/utopia; https://doi.org/10.5281/zenodo.3760410; https://doi.org/10.5281/zenodo.3760411; oai:zenodo.org:3760411

الاتاحة: https://doi.org/10.5281/zenodo.3760411

المؤلفون: Armin Kleibert, Waiz Karim, Jens Gobrecht, Joost VandeVondele, Jeroen A. van Bokhoven, Yasin Ekinci, Clelia Spreafico

المصدر: Nature. 541:68-71

مصطلحات موضوعية: Multidisciplinary, Chemistry, Catalyst support, Inorganic chemistry, Oxide, Nanoparticle, Model system, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Heterogeneous catalysis, 01 natural sciences, 0104 chemical sciences, chemistry.chemical_compound, Hydrogen spillover, 0210 nano-technology, Aluminum oxide, A titanium

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4b3fb03dbb2c0403ef1470927075666d
https://doi.org/10.1038/nature20782