Publicacións en colaboración con investigadores/as de Donostia International Physics Center (46)

2023

  1. Effect of electronic stopping in molecular dynamics simulations of collision cascades in gallium arsenide

    Physical Review Materials, Vol. 7, Núm. 2

  2. Modular implementation of the linear- and cubic-scaling orbital minimization methods in electronic structure codes using atomic orbitals

    Royal Society Open Science, Vol. 10, Núm. 4

  3. Nonlinear electronic stopping of negatively charged particles in liquid water

    Physical Review Research, Vol. 5, Núm. 3

  4. On-Surface Synthesis and Characterization of a High-Spin Aza-[5]-Triangulene

    Angewandte Chemie - International Edition, Vol. 62, Núm. 41

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

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

2022

  1. Bragg's additivity rule and core and bond model studied by real-time TDDFT electronic stopping simulations: The case of water vapor

    Radiation Physics and Chemistry, Vol. 193

  2. Corrigendum to“Bragg's additivity rule and core and bond model studied by real-time TDDFT electronic stopping simulations: The case of water vapor”[Radiat. Phys. Chem. (2022) volume 193, article number: 109961] (Radiation Physics and Chemistry (2022) 193, (S0969806X22000032), (10.1016/j.radphyschem.2022.109961))

    Radiation Physics and Chemistry

  3. Coupling between tilts and charge carriers at polar-nonpolar perovskite interfaces

    Physical Review B, Vol. 106, Núm. 9

  4. Inelastic scattering of electrons in water from first principles: Cross sections and inelastic mean free path for use in Monte Carlo track-structure simulations of biological damage

    Royal Society Open Science, Vol. 9, Núm. 5

  5. 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. Ab initio electronic stopping power for protons in Ga 0.5 in 0.5 P/GaAs/Ge triple-junction solar cells for space applications: Stopping of protons in solar cells

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

  2. Efficient ab initio calculation of electronic stopping in disordered systems via geometry pre-sampling: Application to liquid water

    Journal of Chemical Physics, Vol. 153, Núm. 3

  3. Entropic bonding of the type 1 pilus from experiment and simulation

    Royal Society Open Science, Vol. 7, Núm. 4

  4. Gap variability upon packing in organic photovoltaics

    PLoS ONE, Vol. 15, Núm. 6

  5. Siesta: Recent developments and applications

    The Journal of chemical physics, Vol. 152, Núm. 20, pp. 204108

2019

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

    Physical Review B, Vol. 100, Núm. 23

  2. Electronic heat transport versus atomic heating in irradiated short metallic nanowires

    Physical Review B, Vol. 100, Núm. 15

2018

  1. Bulk properties and near-critical behaviour of SiO2 fluid

    Earth and Planetary Science Letters, Vol. 491, pp. 11-20

  2. Core Electrons in the Electronic Stopping of Heavy Ions

    Physical Review Letters, Vol. 121, Núm. 11

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

    Nature Communications, Vol. 9, Núm. 1