P. Ordejon

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Daniel Sanchez-PortalResearch Professor at Centro de Física de Materiales, CSIC-UPV/EHUVerified email at ehu.es
Javier JunqueraUniversidad de CantabriaVerified email at unican.es
Alberto GarciaInstitut de Ciencia de Materials de Barcelona (ICMAB-CSIC) (RoR: 03hasqf61)Verified email at icmab.es
Enric CanadellInstitut de Ciència de Materials de Barcelona (ICMAB-CSIC)Verified email at icmab.es
Miguel PrunedaNanomaterials and Nanotechnology Research Center (CINN-CSIC)Verified email at cinn.es
Christian ThomsenTU BerlinVerified email at tu-berlin.de
Kurt StokbroCEOVerified email at sparrowquantum.com
Mads BrandbygeProfessor at DTU-Physics, Tech. Univ. of DenmarkVerified email at dtu.dk
David A. DraboldOhio UniversityVerified email at ohio.edu
Alfredo SeguraProfessor of Applied Physics, University of ValenciaVerified email at uv.es
Ignacio L. GarzonProfessor of Physics, Universidad Nacional Autonoma de MexicoVerified email at fisica.unam.mx
J FraxedasCSICVerified email at cin2.es
Marcela R. BeltranUniverisad Nacional Autónoma de Mexico, Instituto de Investigaciones en MaterialesVerified email at unam.mx
Karo MichaelianDepartment of Nuclear Physics and Application of Radiations, Instituto de Física, UNAMVerified email at fisica.unam.mx
S.K. EstreicherTexas Tech UniversityVerified email at ttu.edu
Angel RubioDirector Max Planck for the Structure and Dynamics of Matter, Hamburg and Professor of Physics UHHVerified email at mpsd.mpg.de
Nicolas LeconteUniversity of SeoulVerified email at uos.ac.kr
Oswaldo DieguezTel Aviv UniversityVerified email at post.tau.ac.il
Carme RoviraICREA Research Professor at University of BarcelonaVerified email at ub.edu
Chu-Chun FuPh.D, researcher at SRMP, CEA-Saclay, FranceVerified email at cea.fr

P. Ordejon

ICN2 - Institut Català de Nanociència i Nanotecnologia

Verified email at icn2.cat

Nanoscience Simulation Density Functional Theory


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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	13723	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	5844	2002
Self-consistent order- density-functional calculations for very large systems P Ordejón, E Artacho, JM Soler Physical review B 53 (16), R10441, 1996	2993	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	1950	1997
Tight-binding description of graphene S Reich, J Maultzsch, C Thomsen, P Ordejon Physical Review B 66 (3), 035412, 2002	1550	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	1306	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	1244	1999
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	761	2000
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	752	2008
Phonon dispersion in graphite J Maultzsch, S Reich, C Thomsen, H Requardt, P Ordejón Physical review letters 92 (7), 075501, 2004	730	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	582	2003
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	530	2002
Electronic band structure of isolated and bundled carbon nanotubes S Reich, C Thomsen, P Ordejón Physical Review B 65 (15), 155411, 2002	525	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	492	2004
Tight-binding model and direct-gap/indirect-gap transition in single-layer and multilayer MoS 2 E Cappelluti, R Roldán, JA Silva-Guillén, P Ordejón, F Guinea Physical Review B 88 (7), 075409, 2013	484	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	458	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	443	1998
Linear system-size scaling methods for electronic-structure calculations P Ordejón, DA Drabold, RM Martin, MP Grumbach Physical Review B 51 (3), 1456, 1995	367	1995
First-principles study of the origin and nature of ferromagnetism in S Sanvito, P Ordejon, NA Hill Physical Review B 63 (16), 165206, 2001	363	2001
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, 1999	314	1999

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