| The SIESTA method; developments and applicability E Artacho, E Anglada, O Diéguez, JD Gale, A García, J Junquera, ... Journal of Physics: Condensed Matter 20 (6), 064208, 2008 | 784 | 2008 |
| Transformation of spin information into large electrical signals using carbon nanotubes LE Hueso, JM Pruneda, V Ferrari, G Burnell, JP Valdés-Herrera, ... Nature 445 (7126), 410-413, 2007 | 448 | 2007 |
| Siesta: Recent developments and applications A García, N Papior, A Akhtar, E Artacho, V Blum, E Bosoni, P Brandimarte, ... The Journal of chemical physics 152 (20), 2020 | 371 | 2020 |
| Electronic stopping power in LiF from first principles JM Pruneda, D Sánchez-Portal, A Arnau, JI Juaristi, E Artacho Physical review letters 99 (23), 235501, 2007 | 221 | 2007 |
| Real-Time TD-DFT Simulations in Dye Sensitized Solar Cells: The Electronic Absorption Spectrum of Alizarin Supported on TiO2 Nanoclusters R Sánchez-de-Armas, J Oviedo Lopez, M A. San-Miguel, JF Sanz, ... Journal of Chemical Theory and Computation 6 (9), 2856-2865, 2010 | 195 | 2010 |
| Origin of half-semimetallicity induced at interfaces of C-BN heterostructures JM Pruneda Physical Review B—Condensed Matter and Materials Physics 81 (16), 161409, 2010 | 168 | 2010 |
| Nature of the chemical bond and prediction of radiation tolerance in pyrochlore and defect fluorite compounds GR Lumpkin, M Pruneda, S Rios, KL Smith, K Trachenko, KR Whittle, ... Journal of Solid State Chemistry 180 (4), 1512-1518, 2007 | 160 | 2007 |
| First-principles study of structural, elastic, and bonding properties of pyrochlores JM Pruneda, E Artacho Physical Review B—Condensed Matter and Materials Physics 72 (8), 085107, 2005 | 153 | 2005 |
| How the nature of the chemical bond governs resistance to amorphization by radiation damage K Trachenko, JM Pruneda, E Artacho, MT Dove Physical Review B—Condensed Matter and Materials Physics 71 (18), 184104, 2005 | 146 | 2005 |
| Ab initio study of NO< sub> x</sub> compounds adsorption on SnO< sub> 2</sub> surface JD Prades, A Cirera, JR Morante, JM Pruneda, P Ordejón Sensors and Actuators B: Chemical 126 (1), 62-67, 2007 | 110* | 2007 |
| CaFeO2: A New Type of Layered Structure with Iron in a Distorted Square Planar Coordination C Tassel, JM Pruneda, N Hayashi, T Watanabe, A Kitada, Y Tsujimoto, ... Journal of the American Chemical Society 131 (1), 221-229, 2009 | 106 | 2009 |
| Infrared and Raman spectra of ZrSiO4 experimentally shocked at high pressures A Gucsik, M Zhang, C Koeberl, EKH Salje, SAT Redfern, JM Pruneda Mineralogical Magazine 68 (5), 801-811, 2004 | 88 | 2004 |
| Electrical and thermal transport in coplanar polycrystalline graphene–hbn heterostructures JE Barrios-Vargas, B Mortazavi, AW Cummings, R Martinez-Gordillo, ... Nano letters 17 (3), 1660-1664, 2017 | 81 | 2017 |
| Structural and electronic properties of SrFeO_ {2} from first principles JM Pruneda, J Íñiguez, E Canadell, H Kageyama, M Takano Physical Review B 78 (11), 115101, 2008 | 79 | 2008 |
| Ab initio local vibrational modes of light impurities in silicon JM Pruneda, SK Estreicher, J Junquera, J Ferrer, P Ordejón Physical Review B 65 (7), 075210, 2002 | 71 | 2002 |
| Optimized basis sets for the collinear and non-collinear phases of iron VM García-Suárez, CM Newman, CJ Lambert, JM Pruneda, J Ferrer Journal of Physics: Condensed Matter 16 (30), 5453, 2004 | 62 | 2004 |
| Mechanisms behind the enhancement of thermal properties of graphene nanofluids MR Rodríguez-Laguna, A Castro-Alvarez, M Sledzinska, J Maire, ... Nanoscale 10 (32), 15402-15409, 2018 | 58 | 2018 |
| Ferrodistortive instability at the (001) surface of half-metallic manganites JM Pruneda, V Ferrari, R Rurali, PB Littlewood, NA Spaldin, E Artacho Physical review letters 99 (22), 226101, 2007 | 55 | 2007 |
| He-LiF surface interaction potential from fast atom diffraction A Schüller, H Winter, MS Gravielle, JM Pruneda, JE Miraglia Physical Review A 80 (6), 062903, 2009 | 54 | 2009 |
| First-principles infrared spectrum of nitric acid and nitric acid monohydrate crystals D Fernández-Torre, R Escribano, T Archer, JM Pruneda, E Artacho The Journal of Physical Chemistry A 108 (47), 10535-10541, 2004 | 53 | 2004 |
P. OrdejonICN2 - Institut Català de Nanociència i NanotecnologiaVerified email at icn2.cat
