Publicaciones en colaboración con investigadores/as de Universidad del País Vasco/Euskal Herriko Unibertsitatea (37)

2023

  1. Real-space observation of ultraconfined in-plane anisotropic acoustic terahertz plasmon polaritons

    Nature Materials, Vol. 22, Núm. 7, pp. 860-866

2022

  1. Semi-empirical and linear-scaling DFT methods to characterize duplex DNA and G-quadruplexes in the presence of interacting small molecules

    Physical Chemistry Chemical Physics

2020

  1. Electrostatics and domains in ferroelectric superlattices: Domains in ferroelectric superlattices

    Royal Society Open Science, Vol. 7, Núm. 11

2019

  1. Comparison of dispersion-corrected exchange-correlation functionals using atomic orbitals

    Physical Review B, Vol. 100, Núm. 23

2018

  1. Core Electrons in the Electronic Stopping of Heavy Ions

    Physical Review Letters, Vol. 121, Núm. 11

  2. Mechanical architecture and folding of E. coli type 1 pilus domains

    Nature Communications, Vol. 9, Núm. 1

2017

  1. Bimodal supramolecular functionalization of carbon nanotubes triggered by covalent bond formation

    Chemical Science, Vol. 8, Núm. 3, pp. 1927-1935

  2. Libvdwxc: A library for exchange-correlation functionals in the vdW-DF family

    Modelling and Simulation in Materials Science and Engineering, Vol. 25, Núm. 6

2016

  1. Recent developments in the ABINIT software package

    Computer Physics Communications, Vol. 205, pp. 106-131

2014

  1. Gas sensing and thermal transport through carbon-nanotube-based nanodevices

    Challenges and Advances in Computational Chemistry and Physics (Springer), pp. 99-136

2012

  1. Electronic stopping power in gold: The role of d electrons and the H/He anomaly

    Physical Review Letters, Vol. 108, Núm. 22

  2. The ETSF: An e-infrastructure that bridges simulations and experiments

    Computing in Science and Engineering, Vol. 14, Núm. 1, pp. 22-32

  3. Wannier functions approach to van der Waals interactions in ABINIT

    Computer Physics Communications, Vol. 183, Núm. 3, pp. 480-485

2011

  1. Organizing software growth and distributed development: The case of abinit

    Computing in Science and Engineering, Vol. 13, Núm. 1, pp. 62-69

  2. Surface defects and conduction in polar oxide heterostructures

    Physical Review B - Condensed Matter and Materials Physics, Vol. 83, Núm. 20

2010

  1. Carbon nanotube based sensors and fluctuation enhanced sensing

    Physica Status Solidi (C) Current Topics in Solid State Physics

  2. Increasing chemical selectivity of carbon nanotube-based sensors by fluctuation-enhanced sensing

    Fluctuation and Noise Letters, Vol. 9, Núm. 3, pp. 277-287

  3. The flexoelectricity of barium and strontium titanates from first principles

    Journal of Physics Condensed Matter, Vol. 22, Núm. 11

  4. Topology of the polarization field in ferroelectric nanowires from first principles

    Physical Review B - Condensed Matter and Materials Physics, Vol. 81, Núm. 17

  5. Trapping of oxygen vacancies in the twin walls of perovskite

    Physical Review B - Condensed Matter and Materials Physics, Vol. 81, Núm. 2