Publications in collaboration with researchers from 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