Publicaciones en colaboración con investigadoras/es de Universidad de Zaragoza (20)

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

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. 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. A survey of the parallel performance and accuracy of Poisson solvers for electronic structure calculations

    Journal of Computational Chemistry, Vol. 35, Núm. 6, pp. 427-444

  2. 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. Excited states of the green fluorescent protein chromophore: Performance of ab initio and semi-empirical methods

    Physica Status Solidi (B) Basic Research, Vol. 249, Núm. 2, pp. 392-400

  2. 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

  3. 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

2008

  1. Efficient formalism for large-scale ab initio molecular dynamics based on time-dependent density functional theory

    Physical Review Letters, Vol. 101, Núm. 9