Publications in collaboration with researchers from Universidad del País Vasco/Euskal Herriko Unibertsitatea (41)

2023

  1. Floquet engineering with quantum optimal control theory

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

2021

  1. Absence of spillover of hydrogen adsorbed on small palladium clusters anchored to graphene vacancies

    Applied Surface Science, Vol. 559

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. Dynamics of Cluster Isomerization Induced by Hydrogen Adsorption

    Journal of Physical Chemistry C, Vol. 123, Núm. 24, pp. 15236-15243

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

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

2018

  1. 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

2017

  1. Manipulating the Magnetic Moment of Palladium Clusters by Adsorption and Dissociation of Molecular Hydrogen

    Journal of Physical Chemistry C, Vol. 121, Núm. 38, pp. 20756-20762

2016

  1. Is Spillover Relevant for Hydrogen Adsorption and Storage in Porous Carbons Doped with Palladium Nanoparticles?

    Journal of Physical Chemistry C, Vol. 120, Núm. 31, pp. 17357-17364

  2. Shaped electric fields for fast optimal manipulation of electron spin and position in a double quantum dot

    Physical Review B, Vol. 93, Núm. 3

  3. Tailored pump-probe transient spectroscopy with time-dependent density-functional theory: controlling absorption spectra

    European Physical Journal B, Vol. 89, Núm. 5

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. Simulating pump-probe photoelectron and absorption spectroscopy on the attosecond timescale with time-dependent density functional theory

    ChemPhysChem, Vol. 14, Núm. 7, pp. 1363-1376

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

  2. Time-dependent density-functional theory in massively parallel computer architectures: The octopus project

    Journal of Physics Condensed Matter, Vol. 24, Núm. 23

2011

  1. Quantum optimal control theory in the linear response formalism

    Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 84, Núm. 3

2010

  1. Ab initio molecular dynamics on the electronic Boltzmann equilibrium distribution

    New Journal of Physics, Vol. 12

  2. Hydrogen storage in nanoporous carbon

    Handbook of Nanophysics: Functional Nanomaterials (CRC Press), pp. 41-1-41-16

  3. Optical to ultraviolet spectra of sandwiches of benzene and transition metal atoms: Time dependent density functional theory and many-body calculations

    Journal of Chemical Physics, Vol. 132, Núm. 4