Publicaciones en colaboración con investigadores/as de Universidad del País Vasco/Euskal Herriko Unibertsitatea (63)

2023

  1. Floquet engineering with quantum optimal control theory

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

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. 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

2016

  1. 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

2010

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

    New Journal of Physics, Vol. 12

2009

  1. Femtosecond laser pulse shaping for enhanced ionization

    EPL, Vol. 87, Núm. 5

  2. Modified ehrenfest formalism for efficient large-scale ab initio molecular dynamics

    Journal of Chemical Theory and Computation, Vol. 5, Núm. 4, pp. 728-742

  3. The challenge of predicting optical properties of biomolecules: What can we learn from time-dependent density-functional theory?

    Comptes Rendus Physique

2008

  1. Cluster-surface and cluster-cluster interactions: Ab initio calculations and modeling of asymptotic van der Waals forces

    Physical Review B - Condensed Matter and Materials Physics, Vol. 78, Núm. 3

  2. Coherent quantum switch driven by optimized laser pulses

    Physica E: Low-Dimensional Systems and Nanostructures, Vol. 40, Núm. 5, pp. 1593-1595

  3. Optimal laser control of double quantum dots

    Physical Review B - Condensed Matter and Materials Physics, Vol. 77, Núm. 8

2005

  1. Optical absorption of the blue fluorescent protein: A first-principles study

    Journal of the American Chemical Society, Vol. 127, Núm. 35, pp. 12329-12337

2004

  1. Calculation of the optical spectrum of the Ti8C12 and V8C12 Met-Cars

    Chemical Physics Letters, Vol. 398, Núm. 4-6, pp. 292-296