Publicacións en colaboración con investigadores/as de Centro de Investigación Cooperativa en Nanociencias (48)

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. Pressure-induced transitions in FePS3: Structural, magnetic and electronic properties

    SciPost Physics, Vol. 15, Núm. 1

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

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

2022

  1. Ab initio electronic stationary states for nuclear projectiles in solids

    Physical Review Research, Vol. 4, Núm. 4

  2. 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

  3. 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

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

    Physical Review B, Vol. 106, Núm. 9

  5. 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

  6. Local orbital formulation of the Floquet theory of projectile electronic stopping

    Physical Review B, Vol. 105, Núm. 24

  7. Manifold curvature and Ehrenfest forces with a moving basis

    SciPost Physics, Vol. 12, Núm. 1

  8. 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, Vol. 24, Núm. 19, pp. 11510-11519

2021

  1. 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

    Dryad

  2. Numerical integration of quantum time evolution in a curved manifold

    Physical Review Research, Vol. 3, Núm. 4

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

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

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

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