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 (11), 2745, 2002 | 13892 | 2002 |
Density-functional method for nonequilibrium electron transport M Brandbyge, JL Mozos, P Ordejón, J Taylor, K Stokbro Physical Review B 65 (16), 165401, 2002 | 5920 | 2002 |
Self-consistent order- density-functional calculations for very large systems P Ordejón, E Artacho, JM Soler Physical review B 53 (16), R10441, 1996 | 3024 | 1996 |
Density‐functional method for very large systems with LCAO basis sets D Sánchez‐Portal, P Ordejon, E Artacho, JM Soler International journal of quantum chemistry 65 (5), 453-461, 1997 | 1958 | 1997 |
Tight-binding description of graphene S Reich, J Maultzsch, C Thomsen, P Ordejon Physical Review B 66 (3), 035412, 2002 | 1557 | 2002 |
Linear‐scaling ab‐initio calculations for large and complex systems E Artacho, D Sánchez‐Portal, P Ordejón, A Garcia, JM Soler physica status solidi (b) 215 (1), 809-817, 1999 | 1312 | 1999 |
Ab initio structural, elastic, and vibrational properties of carbon nanotubes D Sánchez-Portal, E Artacho, JM Soler, A Rubio, P Ordejón Physical Review B 59 (19), 12678, 1999 | 1247 | 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 (6), 064208, 2008 | 770 | 2008 |
Absence of dc-Conductivity in -DNA PJ De Pablo, F Moreno-Herrero, J Colchero, JG Herrero, P Herrero, ... Physical review letters 85 (23), 4992, 2000 | 752 | 2000 |
Phonon dispersion in graphite J Maultzsch, S Reich, C Thomsen, H Requardt, P Ordejón Physical review letters 92 (7), 075501, 2004 | 740 | 2004 |
Theoretical study of the nonlinear conductance of Di-thiol benzene coupled to Au (1 1 1) surfaces via thiol and thiolate bonds K Stokbro, J Taylor, M Brandbyge, JL Mozos, P Ordejon Computational Materials Science 27 (1-2), 151-160, 2003 | 587 | 2003 |
Electronic band structure of isolated and bundled carbon nanotubes S Reich, C Thomsen, P Ordejón Physical Review B 65 (15), 155411, 2002 | 548 | 2002 |
Designed self‐doped titanium oxide thin films for efficient visible‐light photocatalysis I Justicia, P Ordejón, G Canto, JL Mozos, J Fraxedas, GA Battiston, ... Advanced materials 14 (19), 1399-1402, 2002 | 532 | 2002 |
Stability and mobility of mono-and di-interstitials in α-Fe CC Fu, F Willaime, P Ordejón Physical review letters 92 (17), 175503, 2004 | 499 | 2004 |
Tight-binding model and direct-gap/indirect-gap transition in single-layer and multilayer MoS E Cappelluti, R Roldán, JA Silva-Guillén, P Ordejón, F Guinea Physical Review B—Condensed Matter and Materials Physics 88 (7), 075409, 2013 | 489 | 2013 |
Unconstrained minimization approach for electronic computations that scales linearly with system size P Ordejón, DA Drabold, MP Grumbach, RM Martin Physical Review B 48 (19), 14646, 1993 | 456 | 1993 |
Lowest energy structures of gold nanoclusters IL Garzón, K Michaelian, MR Beltrán, A Posada-Amarillas, P Ordejón, ... Physical review letters 81 (8), 1600, 1998 | 444 | 1998 |
First-principles study of the origin and nature of ferromagnetism in S Sanvito, P Ordejon, NA Hill Physical Review B 63 (16), 165206, 2001 | 365 | 2001 |
Linear system-size scaling methods for electronic-structure calculations P Ordejón, DA Drabold, RM Martin, MP Grumbach Physical Review B 51 (3), 1456, 1995 | 365 | 1995 |
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 | 340 | 2020 |