Ordejon, Pablo: search on Z-Library

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1

Unconstrained minimization approach for electronic computations that scales linearly with system size

Ordejón, Pablo, Drabold, David A., Grumbach, Matthew P., Martin, Richard M.

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 188 KB

english, 1993

2

The SIESTA method for ab initio order-N materials simulation

Artacho, Emilio, Gale, Julian D, Soler, José M, García, Alberto, Junquera, Javier, Ordejón, Pablo, Sánchez-Portal, Daniel

Journal:

Journal of Physics Condensed Matter

Year:

2002

Language:

english

File:

PDF, 365 KB

english, 2002

3

Structure and energetics of giant fullerenes: An order-N molecular-dynamics study

Itoh, Satoshi, Ordejón, Pablo, Drabold, David, Martin, Richard

Journal:

Physical Review B

Year:

1996

Language:

english

File:

PDF, 161 KB

english, 1996

4

Electrons in dry DNA from density functional calculations

ARTACHO, EMILIO, MACHADO, MAIDER, SÁNCHEZ-PORTAL, DANIEL, ORDEJÓN, PABLO, SOLER, JOSÉ M.

Journal:

Molecular Physics

Year:

2003

Language:

english

File:

PDF, 1.02 MB

english, 2003

5

Electronic-structure-based molecular-dynamics method for large biological systems: Application to the 10 basepair poly(dG)⋅poly(dC) DNA double helix

Lewis, James P., Ordejón, Pablo, Sankey, Otto F.

Journal:

Physical Review B

Year:

1997

Language:

english

File:

PDF, 190 KB

english, 1997

6

Spin-Crossover in an Exfoliated 2D Coordination Polymer and Its Implementation in Thermochromic Films

Suárez-García, Salvio, Adarsh, Nayarassery N., Molnár, Gábor, Bousseksou, Azzedine, Garcia, Yann, Dîrtu, Marinela M., Saiz-Poseu, Javier, Robles, Roberto, Ordejón, Pablo, Ruiz-Molina, Daniel

Journal:

ACS Applied Nano Materials

Year:

2018

Language:

english

File:

PDF, 1.02 MB

english, 2018

7

Linear system-size scaling methods for electronic-structure calculations

Ordejón, Pablo, Drabold, David A., Martin, Richard M., Grumbach, Matthew P.

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 1014 KB

english, 1995

8

Oxygen Surface Functionalization of Graphene Nanoribbons for Transport Gap Engineering

Cresti, Alessandro, Lopez-Bezanilla, Alejandro, Ordejón, Pablo, Roche, Stephan

Journal:

Year:

2011

Language:

english

File:

PDF, 913 KB

english, 2011

9

Localization in the interacting-random-dimer model

Ordejón, Pablo, Ortiz, Gerardo, Phillips, Philip

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 189 KB

english, 1994

10

density-functional calculations for very large systems

Ordejón, Pablo, Artacho, Emilio, Soler, José M.

Journal:

Physical Review B

Year:

1996

Language:

english

File:

PDF, 94 KB

english, 1996

11

Improved nonorthogonal tight-binding Hamiltonian for molecular-dynamics simulations of silicon clusters

Ordejón, Pablo, Lebedenko, Dmitry, Menon, Madhu

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 359 KB

english, 1994

12

Optimal strictly localized basis sets for noble metal surfaces

García-Gil, Sandra, García, Alberto, Lorente, Nicolás, Ordejón, Pablo

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 248 KB

english, 2009

13

Nanotubes and nanowires: the effect of impurities and defects on their electronic properties

Mozos, Jose L., Machado, Eduardo, Hernandez, Eduardo, Ordejon, Pablo

Journal:

International Journal of Nanotechnology

Year:

2005

Language:

english

File:

PDF, 749 KB

english, 2005

14

Electronic properties of single-layer and multilayer transition metal dichalcogenides MX 2 ( M = Mo, W and X = S, Se)

Roldán, Rafael, Silva-Guillén, Jose A., López-Sancho, M. Pilar, Guinea, Francisco, Cappelluti, Emmanuele, Ordejón, Pablo

Journal:

Annalen der Physik

Year:

2014

Language:

english

File:

PDF, 320 KB

english, 2014

15

Capacitive DNA Detection Driven by Electronic Charge Fluctuations in a Graphene Nanopore

Feliciano, Gustavo T., Sanz-Navarro, Carlos, Coutinho-Neto, Mauricio Domingues, Ordejón, Pablo, Scheicher, Ralph H., Rocha, Alexandre Reily

Journal:

Physical Review Applied

Year:

2015

Language:

english

File:

PDF, 1.23 MB

english, 2015

16

Density-functional method for very large systems with LCAO basis sets

Daniel Sánchez-Portal, Pablo Ordejón, Emilio Artacho, José M. Soler

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 181 KB

english, 1997

17

Ab initio structural, elastic, and vibrational properties of carbon nanotubes

Sánchez-Portal, Daniel, Artacho, Emilio, Soler, José, Rubio, Angel, Ordejón, Pablo

Journal:

Physical Review B

Year:

1999

Language:

english

File:

PDF, 260 KB

english, 1999

18

Self-interstitial–hydrogen complexes in Si

Gharaibeh, M., Estreicher, S. K., Fedders, P. A., Ordejón, Pablo

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 478 KB

english, 2001

19

Concerning the origin of superstructures in hydrogen molybdenum bronzes HxMoO3

Damián A Scherlis, Young Joo Lee, Carme Rovira, Stefan Adams, Risto M Nieminen, Pablo Ordejón, Enric Canadell

Journal:

Solid State Ionics

Year:

2004

Language:

english

File:

PDF, 544 KB

english, 2004

20

Metallic bonding and cluster structure

Soler, José, Beltrán, Marcela, Michaelian, Karo, Garzón, Ignacio, Ordejón, Pablo, Sánchez-Portal, Daniel, Artacho, Emilio

Journal:

Physical Review B

Year:

2000

Language:

english

File:

PDF, 112 KB

english, 2000

21

Order-N tight-binding molecular dynamics on parallel computers

Satoshi Itoh, Pablo Ordejón, Richard M. Martin

Journal:

Computer Physics Communications

Year:

1995

Language:

english

File:

PDF, 995 KB

english, 1995

22

Modulation of the NOtranseffect in heme proteins: implications for the activation of soluble guanylate cyclase

Marcelo A. Martí, Damián A. Scherlis, Fabio A. Doctorovich, Pablo Ordejón, Darío A. Estrin

Journal:

JBIC Journal of Biological Inorganic Chemistry

Year:

2003

Language:

english

File:

PDF, 389 KB

english, 2003

23

Dielectric screening in extended systems using the self-consistent Sternheimer equation and localized basis sets

Hübener, Hannes, Pérez-Osorio, Miguel A., Ordejón, Pablo, Giustino, Feliciano

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 268 KB

english, 2012

24

interfaces

Junquera, Javier, Zimmer, Magali, Ordejón, Pablo, Ghosez, Philippe

Journal:

Physical Review B

Year:

2003

Language:

english

File:

PDF, 374 KB

english, 2003

25

FIRST PRINCIPLES SLAB RELAXATION STUDY OF THE TiFe(001) SURFACE

CANTO, G., ORDEJÓN, PABLO

Journal:

Surface Review and Letters

Year:

2006

Language:

english

File:

PDF, 503 KB

english, 2006

26

-DNA

de Pablo, P. J., Moreno-Herrero, F., Colchero, J., Gómez Herrero, J., Herrero, P., Baró, A. M., Ordejón, Pablo, Soler, José M., Artacho, Emilio

Journal:

Physical Review Letters

Year:

2000

Language:

english

File:

PDF, 491 KB

english, 2000

27

Reconstruction: Linear Gallium Tetramers?

AL-Brithen, Hamad A. H., Yang, Rong, Haider, Muhammad B., Constantin, Costel, Lu, Erdong, Smith, Arthur R., Sandler, Nancy, Ordejón, Pablo

Journal:

Physical Review Letters

Year:

2005

Language:

english

File:

PDF, 603 KB

english, 2005

28

Magnetoresistance and Magnetic Ordering Fingerprints in Hydrogenated Graphene

Soriano, David, Leconte, Nicolas, Ordejón, Pablo, Charlier, Jean-Christophe, Palacios, Juan-Jose, Roche, Stephan

Journal:

Physical Review Letters

Year:

2011

Language:

english

File:

PDF, 866 KB

english, 2011

29

Quantum phase transitions involving a change in polarization

Ortiz, Gerardo, Ordejón, Pablo, Martin, Richard M., Chiappe, Guillermo

Journal:

Physical Review B

Year:

1996

Language:

english

File:

PDF, 291 KB

english, 1996

30

Band selection and disentanglement using maximally localized Wannier functions: the cases of Co impurities in bulk copper and the Cu(111) surface

Korytár, Richard, Pruneda, Miguel, Junquera, Javier, Ordejón, Pablo, Lorente, Nicolás

Journal:

Journal of Physics Condensed Matter

Year:

2010

Language:

english

File:

PDF, 527 KB

english, 2010

31

Electronic States in a Finite Carbon Nanotube: A One-Dimensional Quantum Box

Rubio, Angel, Sánchez-Portal, Daniel, Artacho, Emilio, Ordejón, Pablo, Soler, José M.

Journal:

Physical Review Letters

Year:

1999

Language:

english

File:

PDF, 477 KB

english, 1999

32

Electroresistance Effect in Ferroelectric Tunnel Junctions with Symmetric Electrodes

Bilc, Daniel I., Novaes, Frederico D., Íñiguez, Jorge, Ordejón, Pablo, Ghosez, Philippe

Journal:

Year:

2012

Language:

english

File:

PDF, 1.62 MB

english, 2012

33

Spectral properties of large fullerenes: From cluster to crystal

David A. Drabold, Pablo Ordejón, JianJun Dong, Richard M. Martin

Journal:

Solid State Communications

Year:

1995

Language:

english

File:

PDF, 442 KB

english, 1995

34

An efficient implementation of a QM–MM method in SIESTA

Carlos F. Sanz-Navarro, Rogeli Grima, Alberto García, Edgar A. Bea, Alejandro Soba, José M. Cela, Pablo Ordejón

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2011

Language:

english

File:

PDF, 470 KB

english, 2011

35

Growth of Twin-Free and Low-Doped Topological Insulators on BaF 2 (111)

Bonell, Frédéric, Cuxart, Marc G., Song, Kenan, Robles, Roberto, Ordejón, Pablo, Roche, Stephan, Mugarza, Aitor, Valenzuela, Sergio O.

Journal:

Crystal Growth & Design

Year:

2017

Language:

english

File:

PDF, 1.12 MB

english, 2017

36

Theoretical study of O2 and CO adsorption on Aun clusters (n = 5–10)

Eva M. Fernández, Pablo Ordejón, Luis C. Balbás

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 390 KB

english, 2005

37

and tetrahedral

Fedders, P. A., Drabold, D. A., Ordejón, Pablo, Fabricius, G., Sánchez-Portal, D., Artacho, Emilio, Soler, J. M.

Journal:

Physical Review B

Year:

1999

Language:

english

File:

PDF, 37 KB

english, 1999

38

Carbon nanotubes as substrates for molecular spiropyran-based switches

Malic, E, Setaro, A, Bluemmel, P, Sanz-Navarro, Carlos F, Ordejón, Pablo, Reich, S, Knorr, A

Journal:

Journal of Physics Condensed Matter

Year:

2012

Language:

english

File:

PDF, 396 KB

english, 2012

39

First-principles study of the origin and nature of ferromagnetism in

Sanvito, Stefano, Ordejón, Pablo, Hill, Nicola A.

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 239 KB

english, 2001

40

Origin of current-induced forces in an atomic gold wire: A first-principles study

Brandbyge, Mads, Stokbro, Kurt, Taylor, Jeremy, Mozos, José-Luis, Ordejón, Pablo

Journal:

Physical Review B

Year:

2003

Language:

english

File:

PDF, 342 KB

english, 2003

41

2x2 Charge Density Wave in single-layer TiTe2

Guster, Bogdan, Robles, Roberto, Pruneda, Miguel, Canadell, Enric, Ordejon, Pablo

Journal:

Year:

2018

Language:

english

File:

PDF, 3.43 MB

english, 2018

42

Interaction of copper organometallic precursors with barrier layers of Ti, Ta and W and their nitrides: a first-principles molecular dynamics study

Eduardo Machado, Marcin Kaczmarski, Benoît Braida, Pablo Ordejón, Diwakar Garg, John Norman, Hansong Cheng

Journal:

Journal of Molecular Modeling

Year:

2007

Language:

english

File:

PDF, 434 KB

english, 2007

43

Electronic structure of 2 H -NbSe 2 single-layers in the CDW state

Silva-Guillén, José Ángel, Ordejón, Pablo, Guinea, Francisco, Canadell, Enric

Journal:

Year:

2016

Language:

english

File:

PDF, 2.83 MB

english, 2016

44

First principles study of gold adsorption and diffusion on graphite

Pablo Jensen, X. Blase, Pablo Ordejón

Journal:

Surface Science

Year:

2004

Language:

english

File:

PDF, 340 KB

english, 2004

45

Environment effects on chemical reactivity of heme proteins

Damián A. Scherlis, Marcelo A. Martí, Pablo Ordejón, Darío A. Estrin

Journal:

International Journal of Quantum Chemistry

Year:

2002

Language:

english

File:

PDF, 209 KB

english, 2002

46

Order-N tight-binding methods for electronic-structure and molecular dynamics

Journal:

Computational Materials Science

Year:

1998

Language:

english

File:

PDF, 602 KB

english, 1998

47

Prediction of semiconducting behavior

Oliva, Josep M., Ordejón, Pablo, Canadell, Enric

Journal:

Physical Review B

Year:

2000

Language:

english

File:

PDF, 180 KB

english, 2000

48

Electronic Structure and Charge Transfer in the Ternary Intercalated Graphite β-KS 0.25 C 3

Rodríguez-Fortea, Antonio, Rovira, Carme, Ordejón, Pablo, Hérold, Claire, Lagrange, Philippe, Canadell, Enric

Journal:

Inorganic Chemistry

Year:

2006

Language:

english

File:

PDF, 198 KB

english, 2006

49

Insulating behavior of an amorphous graphene membrane

Van Tuan, Dinh, Kumar, Avishek, Roche, Stephan, Ortmann, Frank, Thorpe, M. F., Ordejon, Pablo

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 573 KB

english, 2012

50

SnO 2 : Bulk and Surface Simulations by an Ab Initio Numerical Local Orbitals Method

Postnikov, A.V., Entel, P., Ordejón, Pablo

Journal:

Phase Transitions

Year:

2002

Language:

english

File:

PDF, 364 KB

english, 2002

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