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List of works by Pablo Ordejón

Absence of dc-conductivity in lambda-DNA.

scientific article published in December 2000

Addressing the Environment Electrostatic Effect on Ballistic Electron Transport in Large Systems: A QM/MM-NEGF Approach

scientific article published on 19 July 2017

An efficient implementation of a QM–MM method in SIESTA

article published in 2010

Anion ordering transition and Fermi surface electron-hole instabilities in the (TMTSF)2ClO4 and (TMTSF)2NO3 Bechgaard salts analyzed through the first-principles Lindhard response function

scientific article published on 22 October 2020

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

scientific article published on September 3, 2010

Carbon nanotubes as substrates for molecular spiropyran-based switches

scientific article published on 11 September 2012

Comment on “Identifying Molecular Orientation of Individual C60 on a Si(111)−(7×7)Surface”

scientific article published in Physical Review Letters

Comment on “Molecular Distortions and Chemical Bonding of a Largeπ-Conjugated Molecule on a Metal Surface”

scientific article published on 9 November 2005

Correlation between electronic structure and local ordering in hydrogenated amorphous silicon

scientific article published on 15 December 1989

Damaging Graphene with Ozone Treatment: A Chemically Tunable Metal−Insulator Transition

scientific article published on 12 July 2010

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

scholarly article in Physical Review B, vol. 85 no. 24, June 2012

Do Thiols Merely Passivate Gold Nanoclusters?

scientific article published in Physical Review Letters

Electron Transport via Local Polarons at Interface Atoms

scientific article published on 13 November 2006

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

scientific article published in Physical Review Letters

Electronic Structure and Charge Transfer in the Ternary Intercalated Graphite β-KS0.25C3

scientific article published on 01 November 2006

Electronic Transport between Graphene Layers Covalently Connected by Carbon Nanotubes

scientific article published on 3 November 2010

Electroresistance Effect in Ferroelectric Tunnel Junctions with Symmetric Electrodes ⬇️

scientific article published on January 19, 2012

Fermi surface electron-hole instability of the (TMTSF)₂PF₆ Bechgaard salt revealed by the first-principles Lindhard response function

scientific article published on 01 April 2020

First-Principles Analyses and Predictions on the Reactivity of Barrier Layers of Ta and TaN toward Organometallic Precursors for Deposition of Copper Films

scientific article published in August 2005

First-principles study of the neutral molecular metalNi(tmdt)2

scholarly article in Physical Review B, vol. 65 no. 8, February 2002

How disorder affects topological surface states in the limit of ultrathin Bi2Se3films

scientific article published on 7 October 2016

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

scientific article published on 15 August 1994

Insulating behavior of an amorphous graphene membrane

scientific article published on 24 September 2012

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

scientific article published on 9 March 2007

Linear Scaling Method for Phonon Calculations from Electronic Structure

scientific article published on 14 August 1995

Linear system-size scaling methods for electronic-structure calculations.

scientific article published in January 1995

Local approach to calculate total energies in semiconductors beyond the Hartree-Fock approximation

scientific article published on 15 December 1991

Localization in the interacting-random-dimer model

scientific article published on 15 November 1994

Magnetism-Dependent Transport Phenomena in Hydrogenated Graphene: From Spin-Splitting to Localization Effects

scientific article published on 20 April 2011

Magnetoresistance and Magnetic Ordering Fingerprints in Hydrogenated Graphene

scientific article published on 30 June 2011

Modulation of the NO trans effect in heme proteins: implications for the activation of soluble guanylate cyclase.

scientific article published on 18 March 2003

Nanotexturing To Enhance Photoluminescent Response of Atomically Thin Indium Selenide with Highly Tunable Band Gap.

scientific article published on 15 April 2016

New Superhard Phases for Three-Dimensional C60-based Fullerites

scientific article published in Physical Review Letters

Nonparametrized calculation of the electronic and vibrational structure of amorphousSiOx

scientific article published on 15 February 1991

Optimal strictly localized basis sets for noble metal surfaces

scholarly article in Physical Review B, vol. 79 no. 7, February 2009

Orbital Specific Chirality and Homochiral Self-Assembly of Achiral Molecules Induced by Charge Transfer and Spontaneous Symmetry Breaking

scientific article published in Physical Review Letters

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

article

Oxygen Surface Functionalization of Graphene Nanoribbons for Transport Gap Engineering

scientific article published on 17 October 2011

Phonon Dispersion in Graphite

scientific article published in Physical Review Letters

Preface: phys. stat. sol. (c) 7/11-12

Quantum phase transitions involving a change in polarization

scientific article published on 15 November 1996

Quantum transport in chemically modified two-dimensional graphene: From minimal conductivity to Anderson localization

scientific article published on 2 December 2011

Real-Time TD-DFT Simulations in Dye Sensitized Solar Cells: The Electronic Absorption Spectrum of Alizarin Supported on TiO2 Nanoclusters.

scientific article published on 16 August 2010

Sampling the diffusion paths of a neutral vacancy in silicon with quantum mechanical calculations

scholarly article in Physical Review B, vol. 70 no. 20, November 2004

Scanning Tunneling Microscopy and Surface Simulation of Zinc-Blende GaN(001) Intrinsic4×Reconstruction: Linear Gallium Tetramers?

scientific article published on 28 September 2005

Simulations of minerals using density-functional theory based on atomic orbitals for linear scaling

Simulations of quantum transport in nanoscale systems: application to atomic gold and silver wires

scientific article published on 24 May 2002

Spin Proximity Effects in Graphene/Topological Insulator Heterostructures.

scientific article published on 26 February 2018

Stability and mobility of mono- and di-interstitials in alpha-Fe.

scientific article published on 30 April 2004

Structural, dynamical, and electronic transport properties of modified DNA duplexes containing size-expanded nucleobases

scientific article published on 2 September 2011

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

scientific article published on 15 January 1996

The SIESTA method for ab initio order-N materials simulation

article published in 2002

Tight-binding description of graphene

scholarly article in Physical Review B, vol. 66 no. 3, July 2002

Trends in Nanotechnology (TNT2007)

Unexpected Dynamics for Self-Interstitial Clusters in Silicon

scientific article published on 12 February 2001

Voltage-Induced Coercivity Reduction in Nanoporous Alloy Films: A Boost toward Energy-Efficient Magnetic Actuation

Y:BaZrO3 Perovskite Compounds I: DFT Study on the Unprotonated and Protonated Local Structures

scientific article published on 8 May 2012

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