Publicaciones en colaboración con investigadoras/es de Fundación Agencia Aragonesa para la Investigación y el Desarrollo (15)

2023

  1. Floquet engineering with quantum optimal control theory

    New Journal of Physics, Vol. 25, Núm. 4

2022

  1. Charge transfer in ultrafast isomerization of acetylene ions

    Physical Review A, Vol. 106, Núm. 3

  2. Floquet engineering the band structure of materials with optimal control theory

    Physical Review Research, Vol. 4, Núm. 3

  3. 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

  4. Unravelling the binding affinity and selectivity of molybdenum(ii) phenanthroline complexes with DNA G-quadruplexes by using linear-scaling DFT studies. The important role of ancillary ligands

    Physical Chemistry Chemical Physics, Vol. 24, Núm. 42, pp. 25918-25929

2021

  1. Single and double charge transfer in the Ne2++He collision within time-dependent density-functional theory

    Physical Review A, Vol. 103, Núm. 3

2020

  1. Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems

    Journal of Chemical Physics, Vol. 152, Núm. 12

2019

  1. Optimal control theory for quantum electrodynamics: an initial state problem

    European Physical Journal B, Vol. 92, Núm. 10

2018

  1. Imidazole-Grafted Nanogels for the Fabrication of Organic–Inorganic Protein Hybrids

    Advanced Functional Materials, Vol. 28, Núm. 35

  2. Propagators for the Time-Dependent Kohn-Sham Equations: Multistep, Runge-Kutta, Exponential Runge-Kutta, and Commutator Free Magnus Methods

    Journal of Chemical Theory and Computation, Vol. 14, Núm. 6, pp. 3040-3052

2015

  1. Enhancing and controlling single-atom high-harmonic generation spectra: a time-dependent density-functional scheme

    European Physical Journal B, Vol. 88, Núm. 8

  2. Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 47, pp. 31371-31396

2014

  1. Optimal control of high-harmonic generation by intense few-cycle pulses

    Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 90, Núm. 5

2013

  1. Spin-to-charge conversion using Rashba coupling at the interface between non-magnetic materials

    Nature Communications, Vol. 4

2012

  1. Non-adiabatic effects within a single thermally averaged potential energy surface: Thermal expansion and reaction rates of small molecules

    Journal of Chemical Physics, Vol. 137, Núm. 22