| The SIESTA method for ab initio order-N materials simulation JM Soler, E Artacho, JD Gale, A García, J Junquera, P Ordejón, ... Journal of Physics: Condensed Matter 14, 2745, 2002 | 14032 | 2002 |
| Linear-scaling ab-initio calculations for large and complex systems E Artacho, D Sanchez-Portal, P Ordejon, A Garcia, JM Soler Physica Status Solidi (b) 215 (1), 809-817, 1999 | 1323 | 1999 |
| The SIESTA method; developments and applicability E Artacho, E Anglada, O Diéguez, JD Gale, A García, J Junquera, ... Journal of Physics: Condensed Matter 20, 064208, 2008 | 784 | 2008 |
| Finite-Temperature Properties of Pb (Zr_ {1-x} Ti_ {x}) O_ {3} Alloys from First Principles L Bellaiche, A García, D Vanderbilt Physical review letters 84 (23), 5427-5430, 2000 | 739 | 2000 |
| 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), 204108, 2020 | 371 | 2020 |
| Improvements on non-equilibrium and transport Green function techniques: the next-generation transiesta N Papior, N Lorente, T Frederiksen, A García, M Brandbyge Computer Physics Communications 212, 8-24, 2017 | 370 | 2017 |
| First-principles ionicity scales. I. Charge asymmetry in the solid state A García, ML Cohen Physical Review B 47 (8), 4215-4220, 1993 | 349 | 1993 |
| Stiff monatomic gold wires with a spinning zigzag geometry D Sánchez-Portal, E Artacho, J Junquera, P Ordejón, A García, JM Soler Physical review letters 83 (19), 3884-3887, 1999 | 314 | 1999 |
| Novel high-pressure structures of MgCO3, CaCO3 and CO2 and their role in Earth's lower mantle AR Oganov, S Ono, Y Ma, CW Glass, A Garcia Earth and Planetary Science Letters 273 (1-2), 38-47, 2008 | 264 | 2008 |
| Electric-field induced polarization paths in Pb (Zr_ {1-x} Ti_ {x}) O_ {3} alloys L Bellaiche, A García, D Vanderbilt Physical Review B 64 (6), 060103, 2001 | 219 | 2001 |
| Compensation of p-type doping in ZnSe: The role of impurity-native defect complexes A García, JE Northrup Physical review letters 74 (7), 1131-1134, 1995 | 210 | 1995 |
| Use of gradient-corrected functionals in total-energy calculations for solids. A García, C Elsässer, J Zhu, SG Louie, ML Cohen Physical review. B, Condensed matter 46 (15), 9829, 1992 | 205 | 1992 |
| Theory of high-pressure phases of hydrogen TW Barbee III, A Garcia, ML Cohen, JL Martins Physical review letters 62 (10), 1150-1153, 1989 | 190 | 1989 |
| Electromechanical behavior of BaTiO from first principles A Garcia, D Vanderbilt Applied physics letters 72, 2981, 1998 | 157 | 1998 |
| Competing structural instabilities in the ferroelectric Aurivillius compound SrBi_ {2} Ta_ {2} O_ {9} JM Perez-Mato, M Aroyo, A García, P Blaha, K Schwarz, J Schweifer, ... Physical Review B 70 (21), 214111, 2004 | 147 | 2004 |
| First-principles study of stability and vibrational properties of tetragonal PbTiO 3 A García, D Vanderbilt Physical Review B 54 (6), 3817, 1996 | 144 | 1996 |
| Optimal strictly localized basis sets for noble metal surfaces S García-Gil, A García, N Lorente, P Ordejón Physical Review B 79 (7), 075441, 2009 | 138 | 2009 |
| Low-temperature properties of Pb (Zr 1− x Ti x) O 3 solid solutions near the morphotropic phase boundary L Bellaiche, A García, D Vanderbilt Ferroelectrics 266 (1), 41-56, 2002 | 116 | 2002 |
| ELSI: A unified software interface for Kohn–Sham electronic structure solvers VW Yu, F Corsetti, A García, WP Huhn, M Jacquelin, W Jia, B Lange, L Lin, ... Computer Physics Communications 222, 267-285, 2018 | 102 | 2018 |
| First-principles prediction of high-temperature superconductivity in metallic hydrogen TW Barbee, A García, ML Cohen Nature 340 (6232), 369-371, 1989 | 100 | 1989 |
P. OrdejonICN2 - Institut Català de Nanociència i NanotecnologiaVerified email at icn2.cat
