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1دورية أكاديمية
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المؤلفون: Denis Maag, Josua Böser, Henryk A. Witek, Ben Hourahine, Marcus Elstner, Tomáš Kubař
المصدر: The Journal of Chemical Physics, 158 (12), 124107
مصطلحات موضوعية: Life sciences, biology, ddc:570, General Physics and Astronomy, Physical and Theoretical Chemistry
وصف الملف: application/pdf
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المؤلفون: Van-Quan Vuong, Caterina Cevallos, Ben Hourahine, Bálint Aradi, Jacek Jakowski, Stephan Irle, Cristopher Camacho
المصدر: The Journal of Chemical Physics. 158:084802
مصطلحات موضوعية: General Physics and Astronomy, Physical and Theoretical Chemistry
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المؤلفون: Weitao Yang, Tom J. P. Irons, Aurora Pribram-Jones, Kieron Burke, Duncan Gowland, Donald G. Truhlar, Michael F. Herbst, Pina Romaniello, Jack Wetherell, Christoph R. Jacob, Nikitas I. Gidopoulos, Jan Gerit Brandenburg, Ben Hourahine, Daniel J. Cole, Chris-Kriton Skylaris, Manasi R. Mulay, Katarzyna Pernal, Andreas Savin, Bartolomeo Civalleri, Dumitru Sirbu, Pierre François Loos, Matthew R. Ryder, Trygve Helgaker, Johannes Neugebauer, Nisha Mehta, Gábor Csányi, Grégoire David
المصدر: Faraday Discussions. 224:309-332
مصطلحات موضوعية: Scale (ratio), Computer science, Physical and Theoretical Chemistry, Data science
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c784062a52650c531944b03d5af96ce0
https://doi.org/10.1039/d0fd90024a -
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المؤلفون: Grzegorz Cios, Piotr Bała, Gert Nolze, Aimo Winkelmann, Carol Trager-Cowan, Ben Hourahine, Tomasz Tokarski
مصطلحات موضوعية: Diffraction, Physics, Histology, Electron, Projection (linear algebra), Pathology and Forensic Medicine, Computational physics, Electron diffraction, Phenomenological model, RA1001, Kikuchi line, Order of magnitude, QC, Electron backscatter diffraction
وصف الملف: application/pdf
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المؤلفون: Thomas Frauenheim, Ben Hourahine, Hao Xu, Jin Gyu Park, Grigorii Drozdov, Traian Dumitrica, Rebekah Sweat
المصدر: Carbon. 143:786-792
مصطلحات موضوعية: Mesoscopic physics, Materials science, 02 engineering and technology, General Chemistry, Carbon nanotube, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Multiscale modeling, Discrete element method, 0104 chemical sciences, law.invention, Condensed Matter::Materials Science, Tight binding, law, Chemical physics, Nano, General Materials Science, Density functional theory, 0210 nano-technology, Quantum, QC
وصف الملف: application/pdf
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المؤلفون: Jan Gerit Brandenburg, Kieron Burke, Ben Hourahine, Trygve Helgaker, David J. Tozer, Matthew R. Ryder, Andrew M. Teale, Jannis Erhard, Nikitas I. Gidopoulos, Abhisek Ghosal, Antonio Cancio, Weitao Yang, Christoph R. Jacob, Aurora Pribram-Jones, Manasi R. Mulay, Andreas Savin, Lucia Reining, Katarzyna Pernal, Pina Romaniello, Paola Gori-Giorgi, Emmanuel Fromager, Derk P. Kooi, Chris-Kriton Skylaris, Neepa T. Maitra, Donald G. Truhlar
المصدر: Faraday discussions. 224
مصطلحات موضوعية: Physics, Electron density, Physical density, Atomic orbital, Statistical physics, Physical and Theoretical Chemistry
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0ec46cb102fd923591e0357917f3a47b
https://pubmed.ncbi.nlm.nih.gov/33232402 -
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المؤلفون: Franco P. Bonafé, Thomas Frauenheim, Carlos R. Medrano, Federico J. Hernández, Cristián G. Sánchez, Ben Hourahine, Bálint Aradi
المصدر: CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Journal of Chemical Theory and Computationمصطلحات موضوعية: pump probe spectroscopy, TD-DFTB, Semiclassical physics, Non-equilibrium thermodynamics, FOS: Physical sciences, Electron, 01 natural sciences, electron ion dynamics, purl.org/becyt/ford/1 [https], Tight binding, Physics - Chemical Physics, 0103 physical sciences, Ultrafast laser spectroscopy, purl.org/becyt/ford/1.4 [https], QC176, Physical and Theoretical Chemistry, Quantum, Physics, Chemical Physics (physics.chem-ph), 010304 chemical physics, Computational Physics (physics.comp-ph), simulation, Computer Science Applications, Computational physics, Excited state, Physics - Computational Physics, Graphene nanoribbons
وصف الملف: application/pdf
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المؤلفون: Jochen Bruckbauer, Ben Hourahine, William Avis, Angus J. Wilkinson, M. Nouf-Allehiani, Ken Mingard, David J. Thomson, Albes Kotzai, Ryan McDermott, Gunnar Kusch, Robert W. Martin, Dale Waters, Arantxa Vilalta-Clemente, Paul R. Edwards, Aeshah Alasamari, Aimo Winkelmann, Peter J. Parbrook, Carol Trager-Cowan, G. Naresh-Kumar, Elena Pascal
المصدر: Gallium Nitride Materials and Devices XV.
مصطلحات موضوعية: Presentation, Materials science, business.industry, Scanning electron microscope, media_common.quotation_subject, Optoelectronics, Electron, Nitride semiconductors, business, Visualization, media_common
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::ac4804a723551139bd5e9c577f72eac0
https://doi.org/10.1117/12.2544228 -
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المؤلفون: Ben Hourahine, William Dawson, Yingzhou Li, Murat Keçeli, Jonathan E. Moussa, Álvaro Vázquez-Mayagoitia, William P. Huhn, Jose E. Roman, Lin Lin, Jianfeng Lu, Victor Yu, Ville Havu, Volker Blum, Chao Yang, Carmen Campos, Raul Laasner, Alberto García, Weile Jia, Mathias Jacquelin
المساهمون: National Science Foundation (US), Argonne National Laboratory (US), National Energy Research Scientific Computing Center (US), European Commission, Agencia Estatal de Investigación (España), Generalitat de Catalunya
المصدر: Digital.CSIC. Repositorio Institucional del CSIC
instnameمصطلحات موضوعية: Parallel computing, Density matrix, Discretization, Fortran, FOS: Physical sciences, General Physics and Astronomy, Density-functional theory, Energy minimization, 01 natural sciences, Mathematical Sciences, 010305 fluids & plasmas, Computational science, Matrix (mathematics), Software, Information and Computing Sciences, 0103 physical sciences, 010306 general physics, Scaling, QC, computer.programming_language, Electronic structure theory, Condensed Matter - Materials Science, business.industry, ScaLAPACK, Eigensolver, Materials Science (cond-mat.mtrl-sci), Computational Physics (physics.comp-ph), Solver, Density-functional tight-binding, Nuclear & Particles Physics, cond-mat.mtrl-sci, Hardware and Architecture, physics.comp-ph, Physical Sciences, Density functional theory, business, computer, Physics - Computational Physics
وصف الملف: application/pdf