Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Artigo
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Electronic Structure of Water from Koopmans-Compliant FunctionalsJames Moraes de Almeida Ngoc Linh Nguyen; Nicola Colonna; Wei Chen; Caetano Rodrigues Miranda; Alfredo Pasquarello; Nicola MarzariJournal of Chemical Theory and Computation Washington: American Chemical Society, 2021 v. 17, n. 7, p. 3923-3930, 17 de junho de 2021Washington 2021Item não circula. Consulte sua biblioteca.(Acessar) |
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2 |
Material Type: Relatório Técnico
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Electronic structure of water from Koopmans-compliant functionalsJames Moraes de Almeida Ngoc Linh Nguyen; Nicola Colonna; Wei Chen; Alfredo Pasquarello; Nicola Marzari; Caetano Rodrigues MirandaSão Paulo 2021Item não circula. Consulte sua biblioteca.(Acessar) |
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3 |
Material Type: Artigo
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Unified theory of thermal transport in crystals and glassesSimoncelli, Michele ; Marzari, Nicola ; Mauri, FrancescoNature physics, 2019-08, Vol.15 (8), p.809-813 [Periódico revisado por pares]London: Nature Publishing GroupTexto completo disponível |
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4 |
Material Type: Artigo
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Prediction of a Large-Gap and Switchable Kane-Mele Quantum Spin Hall InsulatorMarrazzo, Antimo ; Gibertini, Marco ; Campi, Davide ; Mounet, Nicolas ; Marzari, NicolaPhysical review letters, 2018-03, Vol.120 (11), p.117701-117701, Article 117701 [Periódico revisado por pares]United States: American Physical SocietyTexto completo disponível |
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5 |
Material Type: Artigo
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Hubbard parameters from density-functional perturbation theoryTimrov, Iurii ; Marzari, Nicola ; Cococcioni, MatteoPhysical review. B, 2018-08, Vol.98 (8), p.085127, Article 085127 [Periódico revisado por pares]College Park: American Physical SocietyTexto completo disponível |
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6 |
Material Type: Artigo
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Generalization of Fourier’s Law into Viscous Heat EquationsSimoncelli, Michele ; Marzari, Nicola ; Cepellotti, AndreaPhysical review. X, 2020-01, Vol.10 (1), p.011019, Article 011019 [Periódico revisado por pares]College Park: American Physical SocietyTexto completo disponível |
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7 |
Material Type: Artigo
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Two-dimensional materials from high-throughput computational exfoliation of experimentally known compoundsMounet, Nicolas ; Gibertini, Marco ; Schwaller, Philippe ; Campi, Davide ; Merkys, Andrius ; Marrazzo, Antimo ; Sohier, Thibault ; Castelli, Ivano Eligio ; Cepellotti, Andrea ; Pizzi, Giovanni ; Marzari, NicolaNature nanotechnology, 2018-03, Vol.13 (3), p.246-252 [Periódico revisado por pares]England: Nature Publishing GroupTexto completo disponível |
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8 |
Material Type: Artigo
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Wigner Formulation of Thermal Transport in SolidsSimoncelli, Michele ; Marzari, Nicola ; Mauri, FrancescoPhysical review. X, 2022-10, Vol.12 (4), p.041011, Article 041011 [Periódico revisado por pares]American Physical SocietyTexto completo disponível |
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9 |
Material Type: Artigo
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Grand canonical simulations of electrochemical interfaces in implicit solvation modelsHörmann, Nicolas G. ; Andreussi, Oliviero ; Marzari, NicolaThe Journal of chemical physics, 2019-01, Vol.150 (4), p.041730-041730 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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10 |
Material Type: Artigo
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Quantum ESPRESSO toward the exascaleGiannozzi, Paolo ; Baseggio, Oscar ; Bonfà, Pietro ; Brunato, Davide ; Car, Roberto ; Carnimeo, Ivan ; Cavazzoni, Carlo ; de Gironcoli, Stefano ; Delugas, Pietro ; Ferrari Ruffino, Fabrizio ; Ferretti, Andrea ; Marzari, Nicola ; Timrov, Iurii ; Urru, Andrea ; Baroni, StefanoThe Journal of chemical physics, 2020-04, Vol.152 (15), p.154105-154105 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |