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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Recent advances and applications of machine learning in solid-state materials scienceSchmidt, Jonathan ; Marques, Mário R. G. ; Botti, Silvana ; Marques, Miguel A. L.npj computational materials, 2019-08, Vol.5 (1), p.1-36, Article 83 [Periódico revisado por pares]London: Nature Publishing GroupTexto completo disponível |
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2 |
Material Type: Artigo
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Machine Learning the Physical Nonlocal Exchange–Correlation Functional of Density-Functional TheorySchmidt, Jonathan ; Benavides-Riveros, Carlos L ; Marques, Miguel A. LThe journal of physical chemistry letters, 2019-10, Vol.10 (20), p.6425-6431 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |
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3 |
Material Type: Artigo
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Rapid detection of bacterial resistance to antibiotics using AFM cantilevers as nanomechanical sensorsLongo, G ; Alonso-Sarduy, L ; Rio, L Marques ; Bizzini, A ; Trampuz, A ; Notz, J ; Dietler, G ; Kasas, SNature nanotechnology, 2013-07, Vol.8 (7), p.522-526 [Periódico revisado por pares]England: Nature Publishing GroupTexto completo disponível |
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4 |
Material Type: Artigo
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Predicting the Thermodynamic Stability of Solids Combining Density Functional Theory and Machine LearningSchmidt, Jonathan ; Shi, Jingming ; Borlido, Pedro ; Chen, Liming ; Botti, Silvana ; Marques, Miguel A. LChemistry of materials, 2017-06, Vol.29 (12), p.5090-5103 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |
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5 |
Material Type: Artigo
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Double perovskites as p-type conducting transparent semiconductors: a high-throughput searchWang, Hai-Chen ; Pistor, Paul ; Marques, Miguel A. L ; Botti, SilvanaJournal of materials chemistry. A, Materials for energy and sustainability, 2019, Vol.7 (24), p.1475-14711 [Periódico revisado por pares]Cambridge: Royal Society of ChemistryTexto completo disponível |
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6 |
Material Type: Artigo
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Multifunctional biomaterials from the sea: Assessing the effects of chitosan incorporation into collagen scaffolds on mechanical and biological functionalityRaftery, Rosanne M. ; Woods, Brian ; Marques, Ana L.P. ; Moreira-Silva, Joana ; Silva, Tiago H. ; Cryan, Sally-Ann ; Reis, Rui L. ; O’Brien, Fergal J.Acta biomaterialia, 2016-10, Vol.43, p.160-169 [Periódico revisado por pares]England: Elsevier LtdTexto completo disponível |
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7 |
Material Type: Artigo
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Low-density silicon allotropes for photovoltaic applicationsAmsler, Maximilian ; Botti, Silvana ; Marques, Miguel A. L. ; Lenosky, Thomas J. ; Goedecker, StefanPhysical review. B, Condensed matter and materials physics, 2015-07, Vol.92 (1), Article 014101 [Periódico revisado por pares]Texto completo disponível |
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8 |
Material Type: Artigo
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Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilitiesAndrade, Xavier ; Botti, Silvana ; Marques, Miguel A. L ; Rubio, AngelThe Journal of chemical physics, 2007-05, Vol.126 (18), p.184106-184106-8 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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9 |
Material Type: Artigo
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Accuracy of generalized gradient approximation functionals for density-functional perturbation theory calculationsHe, Lianhua ; Liu, Fang ; Hautier, Geoffroy ; Oliveira, Micael J. T. ; Marques, Miguel A. L. ; Vila, Fernando D. ; Rehr, J. J. ; Rignanese, G.-M. ; Zhou, AihuiPhysical review. B, Condensed matter and materials physics, 2014-02, Vol.89 (6), Article 064305 [Periódico revisado por pares]American Physical SocietyTexto completo disponível |
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10 |
Material Type: Artigo
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Identification of Novel Cu, Ag, and Au Ternary Oxides from Global Structural PredictionCerqueira, Tiago F. T ; Lin, Sun ; Amsler, Maximilian ; Goedecker, Stefan ; Botti, Silvana ; Marques, Miguel A. LChemistry of materials, 2015-07, Vol.27 (13), p.4562-4573 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |