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1Academic Journal
المؤلفون: Andreij C. Gadelha, Douglas A. A. Ohlberg, Cassiano Rabelo, Eliel G. S. Neto, Thiago L. Vasconcelos, João L. Campos, Jessica S. Lemos, VinÃcius Ornelas, Daniel Miranda, Rafael Nadas, Fabiano C. Santana, Kenji Watanabe, Takashi Taniguchi, Benoit van Troeye, Michael Lamparski, Vincent Meunier, Nguyen, Viet-Hung, Paszko, Dawid, Charlier, Jean-Christophe, Leonardo C. Campos, Luiz G. Cançado, Gilberto Medeiros-Ribeiro, Ado Jorio
المساهمون: UCL - SST/IMCN/MODL - Modelling
المصدر: Nature, Vol. 590, p. 405-409 (2021)
Relation: boreal:237667; http://hdl.handle.net/2078.1/237667; urn:ISSN:0028-0836; urn:EISSN:1476-4687
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2Academic Journal
المؤلفون: Benoit Van Troeye, Lherbier, Aurélien, Dubois, Simon M-M, Charlier, Jean-Christophe, Gonze, Xavier
المساهمون: UCL - SST/IMCN/MODL - Modelling
المصدر: arXiv, (2020)
Relation: boreal:237674; http://hdl.handle.net/2078.1/237674
الاتاحة: http://hdl.handle.net/2078.1/237674
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المصدر: Physical Review B. 105
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المؤلفون: Gilberto Medeiros-Ribeiro, Eliel G. S. Neto, Luiz Gustavo Cançado, Dawid Paszko, Kenji Watanabe, Daniel Miranda, Vincent Meunier, Takashi Taniguchi, Jessica S. Lemos, Benoit Van Troeye, Cassiano Rabelo, Thiago L. Vasconcelos, Leonardo C. Campos, Rafael Nadas, Michael Lamparski, Fabiano C. Santana, João Luiz Elias Campos, Vinícius Ornelas, Jean-Christophe Charlier, Douglas A. A. Ohlberg, Ado Jorio, Viet-Hung Nguyen, Andreij C. Gadelha
المساهمون: UCL - SST/IMCN/MODL - Modelling
المصدر: Nature, Vol. 590, p. 405-409 (2021)
Natureمصطلحات موضوعية: Multidisciplinary, Materials science, Condensed matter physics, Field (physics), Superlattice, Context (language use), 02 engineering and technology, Crystal structure, 021001 nanoscience & nanotechnology, 01 natural sciences, Crystal, Lattice (module), 0103 physical sciences, Twist, 010306 general physics, 0210 nano-technology, Bilayer graphene
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المؤلفون: Vincent Meunier, Benoit Van Troeye, Colin Daniels, Michael Lamparski, Natalya Sheremetyeva
مصطلحات موضوعية: FOS: Physical sciences, 02 engineering and technology, 010402 general chemistry, Machine learning, computer.software_genre, 01 natural sciences, symbols.namesake, Robustness (computer science), General Materials Science, Physics, Condensed Matter - Materials Science, business.industry, Continuous modelling, Energy landscape, Materials Science (cond-mat.mtrl-sci), General Chemistry, Inverse problem, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Proof of concept, symbols, Artificial intelligence, 0210 nano-technology, Bilayer graphene, Raman spectroscopy, business, computer, Test data
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المؤلفون: Marc Torrent, Nicholas A. Pike, Fabien Bruneval, Henrique Pereira Coutada Miranda, Alessandra Romero, Fabio Ricci, Matteo Giantomassi, Alexandre Martin, Xavier Gonze, Yannick Gillet, Massimiliano Stengel, Lucas Baguet, François Bottin, Francesco Naccarato, Benoit Van Troeye, Tonatiuh Rangel, Olivier Gingras, Guido Petretto, Eric Bousquet, Bernard Amadon, Damien Caliste, Cyrus E. Dreyer, D. R. Hamann, Thomas Applencourt, Guillaume Brunin, Jules Denier, Josef W. Zwanziger, Miquel Royo, Gabriel Antonius, Jordan Bieder, Matthieu J. Verstraete, Julia Wiktor, Valentin Planes, Douglas C. Allan, Gérald Jomard, F. Jollet, Sergei Prokhorenko, Gian-Marco Rignanese, Geoffroy Hautier, Michiel van Setten, Michel Côté, Philippe Ghosez, J. Bouchet
المساهمون: UCL - SST/IMCN/MODL - Modelling, West Virginia University [Morgantown], Université Catholique de Louvain = Catholic University of Louvain (UCL), European Theoretical Spectroscopy Facility (ETSF), Skolkovo Institute of Science and Technology [Moscow] (Skoltech), Service de recherches de métallurgie physique (SRMP), Département des Matériaux pour le Nucléaire (DMN), CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay, Département d'Etudes des Combustibles (DEC), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Chalmers University of Technology [Gothenburg, Sweden], National Science Foundation (US), Department of Energy (US), Fonds de la Recherche Scientifique (Fédération Wallonie-Bruxelles), Université de Liège, Communauté Française de Belgique, Fonds de Recherche Nature et Technologies (Canada), Natural Sciences and Engineering Research Council of Canada, Agence Nationale de la Recherche (France), Ministerio de Economía, Industria y Competitividad (España), Generalitat de Catalunya, European Research Council, European Commission
المصدر: The Journal of Chemical Physics, Vol. 152, no.12, p. 124102 (2020)
BASE-Bielefeld Academic Search Engine
Recercat: Dipósit de la Recerca de Catalunya
Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
Journal of Chemical Physics
Journal of Chemical Physics, 2020, 152, pp.124102. ⟨10.1063/1.5144261⟩
Journal of Chemical Physics, American Institute of Physics, 2020, 152, pp.124102. ⟨10.1063/1.5144261⟩
Recercat. Dipósit de la Recerca de Catalunya
instname
Digital.CSIC. Repositorio Institucional del CSIC
Dipòsit Digital de Documents de la UAB
Universitat Autònoma de Barcelona
The Journal of Chemical Physicsمصطلحات موضوعية: GW approximation, Electric fields, General Physics and Astronomy, Electronic bandstructure, Electronic structure, Perturbation theory, 010402 general chemistry, 01 natural sciences, Projector augmented waves, Pseudopotential, Dielectric materials, Van der Waals forces, 0103 physical sciences, Electronic structure methods, Physical and Theoretical Chemistry, Magnetic field perturbations, GeneralLiterature_REFERENCE(e.g.,dictionaries,encyclopedias,glossaries), Physics, Strongly correlated materials, 010304 chemical physics, Anharmonicity, Many body perturbation theory, Electric field gradients, 0104 chemical sciences, ABINIT, Computational physics, Dynamical mean-field theory, Density functional perturbation theory, Magnetic fields, Raman spectroscopy, Density functional theory, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], Strongly correlated material, Orbital magnetization, Van Der Waals interactions
وصف الملف: application/pdf
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المؤلفون: Jules Denier, Benoit Van Troeye, Guillaume Brunin, Miguel A. L. Marques, Yann Pouillon, Nicole Helbig, Alessandra Romero, Henrique Pereira Coutada Miranda, Alexandre Martin, William Lafargue-Dit-Hauret, Geoffroy Hautier, Jean-Michel Beuken, Michael Marcus Schmitt, Bernard Amadon, Olivier Gingras, Xavier Gonze, Kurt Lejaeghere, Cyril Martins, Gabriel Antonius, Xu He, Grégory Geneste, Nils Brouwer, Valentin Planes, Frédéric Arnardi, Jordan Bieder, Jean-Baptiste Charraud, J. Bouchet, Francesco Naccarato, Wei Chen, Yongchao Jia, F. Jollet, Kristin A. Persson, Michiel van Setten, Théo Cavignac, Marc Torrent, Fabien Bruneval, Lucas Baguet, Guido Petretto, Michel Côté, Philippe Ghosez, François Bottin, Fabio Ricci, D. R. Hamann, Josef W. Zwanziger, Yannick Gillet, Matthieu J. Verstraete, Gian-Marco Rignanese, Natalie Holzwarth, Sergei Prokhorenko, Eric Bousquet, G. Zérah, Matteo Giantomassi, Stefaan Cottenier
المساهمون: UCL - SST/IMCN/MODL - Modelling, Université Catholique de Louvain = Catholic University of Louvain (UCL), European Theoretical Spectroscopy Facility (ETSF), Skolkovo Institute of Science and Technology [Moscow] (Skoltech), DAM Île-de-France (DAM/DIF), Direction des Applications Militaires (DAM), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Université du Québec à Trois-Rivières (UQTR), Institut de minéralogie, de physique des matériaux et de cosmochimie (IMPMC), Muséum national d'Histoire naturelle (MNHN)-Institut de recherche pour le développement [IRD] : UR206-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Centre de Mathématiques et de Leurs Applications (CMLA), École normale supérieure - Cachan (ENS Cachan)-Centre National de la Recherche Scientifique (CNRS), CESAM RU [Liège, Belgium] (Université de liège), Service de recherches de métallurgie physique (SRMP), Département des Matériaux pour le Nucléaire (DMN), CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay, Université de Montréal (UdeM), Universiteit Gent = Ghent University [Belgium] (UGENT), Department of Physics and Astronomy [Piscataway], Rutgers, The State University of New Jersey [New Brunswick] (RU), Rutgers University System (Rutgers)-Rutgers University System (Rutgers), Wake Forest University, Martin-Luther-Universität Halle Wittenberg (MLU), Lawrence Berkeley National Laboratory [Berkeley] (LBNL), Universidad de Cantabria [Santander], West Virginia University [Morgantown], IMEC (IMEC), Catholic University of Leuven - Katholieke Universiteit Leuven (KU Leuven), Dalhousie University [Halifax], The Abinit team, European Project: CTM2014-5848-1R, Universiteit Gent = Ghent University (UGENT)
المصدر: Computer Physics Communications, Vol. 248, no.-, p. 107042 (2020)
Computer Physics Communications
Computer Physics Communications, Elsevier, 2020, 248, pp.107042. ⟨10.1016/j.cpc.2019.107042⟩
Computer Physics Communications, 2020, 248, pp.107042. ⟨10.1016/j.cpc.2019.107042⟩مصطلحات موضوعية: first-principles calculation, Abinit, Computer science, Many-Body perturbation theory, General Physics and Astronomy, Basis function, 01 natural sciences, 010305 fluids & plasmas, Software, 0103 physical sciences, Total energy, 010306 general physics, density functional theory, computer.programming_language, business.industry, Python (programming language), electronic structure, ABINIT, Algebra, Hardware and Architecture, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], Density functional theory, Computational material science, Cohesive energy, business, computer
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المؤلفون: Michael Lamparski, Vincent Meunier, Benoit Van Troeye
مصطلحات موضوعية: Physics, Series (mathematics), Condensed matter physics, Degree (graph theory), Condensed Matter - Mesoscale and Nanoscale Physics, Phonon, Mechanical Engineering, Relaxation (NMR), FOS: Physical sciences, General Chemistry, Condensed Matter Physics, Brillouin zone, Condensed Matter::Materials Science, Mechanics of Materials, Mesoscale and Nanoscale Physics (cond-mat.mes-hall), General Materials Science, Soliton, Twist, Bilayer graphene
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المؤلفون: Aurélien Lherbier, Jean-Christophe Charlier, Gil Vander Marcken, Xavier Gonze, Geoffroy Hautier, Jean Joseph Adjizian, Benoit Van Troeye, Gian-Marco Rignanese, Andrés R. Botello-Méndez
المصدر: Physical Review Materials. 2
مصطلحات موضوعية: Materials science, Physics and Astronomy (miscellaneous), Graphene, Stacking, chemistry.chemical_element, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, law.invention, Crystallography, chemistry, law, General Materials Science, Grain boundary, Lithium, Graphite, Heptagon, 0210 nano-technology, Carbon, Hexagonal tiling
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المصدر: Physical Review Materials. 2
مصطلحات موضوعية: Materials science, Physics and Astronomy (miscellaneous), FOS: Physical sciences, 02 engineering and technology, 01 natural sciences, law.invention, chemistry.chemical_compound, symbols.namesake, law, Lattice (order), 0103 physical sciences, Physics::Atomic and Molecular Clusters, General Materials Science, 010306 general physics, Condensed Matter - Materials Science, Condensed matter physics, Graphene, Materials Science (cond-mat.mtrl-sci), Heterojunction, 021001 nanoscience & nanotechnology, 3. Good health, In plane, Phosphorene, chemistry, symbols, Direct and indirect band gaps, Density functional theory, van der Waals force, 0210 nano-technology
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المؤلفون: Marc Torrent, Xavier Gonze, Benoit Van Troeye
مصطلحات موضوعية: Physics, Condensed Matter - Materials Science, Condensed matter physics, Phonon, Computation, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, 02 engineering and technology, 021001 nanoscience & nanotechnology, 01 natural sciences, Square (algebra), Lattice constant, 0103 physical sciences, Dispersion (optics), Physics::Atomic and Molecular Clusters, Relaxation (physics), Perturbation theory, 010306 general physics, 0210 nano-technology, Scaling
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المؤلفون: Nicholas A. Pike, Xavier Gonze, Antoine Dewandre, Matthieu J. Verstraete, Benoit Van Troeye
مصطلحات موضوعية: Condensed Matter - Materials Science, Materials science, Physics and Astronomy (miscellaneous), Condensed matter physics, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, 02 engineering and technology, Dielectric, Triclinic crystal system, 021001 nanoscience & nanotechnology, Point group, 01 natural sciences, 7. Clean energy, 3. Good health, symbols.namesake, Transition metal, 0103 physical sciences, symbols, General Materials Science, Density functional theory, Perturbation theory, 010306 general physics, 0210 nano-technology, Dispersion (chemistry), Raman spectroscopy
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المؤلفون: Matthieu J. Verstraete, Antoine Dewandre, Guido Petretto, Benoit Van Troeye, Gian-Marco Rignanese, Nicholas A. Pike, Xavier Gonze
المصدر: Physical Review B. 95
مصطلحات موضوعية: Physics, Condensed Matter - Materials Science, Condensed matter physics, Fermi level, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Charge (physics), 02 engineering and technology, 021001 nanoscience & nanotechnology, 01 natural sciences, Effective nuclear charge, 3. Good health, symbols.namesake, Chemical bond, 0103 physical sciences, symbols, Molecular orbital, Density functional theory, 010306 general physics, 0210 nano-technology, Sign (mathematics), Pi backbonding
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المؤلفون: Gian-Marco Rignanese, Matteo Giantomassi, Marc Torrent, Xavier Gonze, Benoit Van Troeye, Michiel van Setten
المصدر: Physical Review B. 95
مصطلحات موضوعية: Materials science, Condensed matter physics, Phonon, 02 engineering and technology, Dielectric, 021001 nanoscience & nanotechnology, Alkali metal, 01 natural sciences, London dispersion force, Ferroelectricity, Absolute deviation, Lattice (order), 0103 physical sciences, Density functional theory, 010306 general physics, 0210 nano-technology
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المؤلفون: Antoine Dewandre, Matthieu J. Verstraete, Nicholas A. Pike, Xavier Gonze, Benoit Van Troeye
المساهمون: UCL - SST/IMCN/MODL - Modelling
المصدر: BASE-Bielefeld Academic Search Engine
Physical Review Materials, Vol. 3, no.7, p. 074009 (2019)مصطلحات موضوعية: Condensed Matter - Materials Science, Materials science, Physics and Astronomy (miscellaneous), Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Heterojunction, 02 engineering and technology, Dielectric, Triclinic crystal system, 021001 nanoscience & nanotechnology, 01 natural sciences, Symmetry (physics), 3. Good health, Physical property, Transition metal, Chemical physics, 0103 physical sciences, Monolayer, General Materials Science, 010306 general physics, 0210 nano-technology