Publicaciones en las que colabora con ASK HJORTH LARSEN (17)

2021

  1. Recent progress of the computational 2D materials database (C2DB)

    2D MATERIALS, Vol. 8, 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

  2. The CECAM electronic structure library and the modular software development paradigm

    The Journal of chemical physics, Vol. 153, Núm. 2, pp. 024117

2019

  1. Optical excitations of chlorophyll a and b monomers and dimers

    Journal of Chemical Physics, Vol. 151, Núm. 17

2018

  1. Intrinsic core level photoemission of suspended monolayer graphene

    Physical Review Materials, Vol. 2, Núm. 7

2017

  1. Libvdwxc: A library for exchange-correlation functionals in the vdW-DF family

    Modelling and Simulation in Materials Science and Engineering, Vol. 25, Núm. 6

2016

  1. Dynamical processes in open quantum systems from a TDDFT perspective: Resonances and electron photoemission

    Topics in Current Chemistry, Vol. 368, pp. 219-272

2015

  1. Design and performance characterization of electronic structure calculations on massively parallel supercomputers: A case study of GPAW on the Blue Gene/P architecture

    Concurrency Computation , Vol. 27, Núm. 1, pp. 69-93

  2. Dynamical processes in open quantum systems from a TDDFT perspective: Resonances and electron photoemission

    Density-Functional Methods for Excited States (Springer International Publishing), pp. 219-271

  3. Localized surface plasmon resonance in silver nanoparticles: Atomistic first-principles time-dependent density-functional theory calculations

    Physical Review B - Condensed Matter and Materials Physics, Vol. 91, Núm. 11

  4. Modeling electron dynamics coupled to continuum states in finite volumes with absorbing boundaries

    European Physical Journal B, Vol. 88, Núm. 3, pp. 1-12

  5. 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. Climbing the activity volcano: Core-Shell Ru@Pt Electrocatalysts for Oxygen Reduction

    ChemElectroChem, Vol. 1, Núm. 1

2013

  1. Investigation of catalytic finite-size-effects of platinum metal clusters

    Journal of Physical Chemistry Letters, Vol. 4, Núm. 1, pp. 222-226

  2. Stark ionization of atoms and molecules within density functional resonance theory

    Journal of Physical Chemistry Letters, Vol. 4, Núm. 16, pp. 2734-2738

2012

  1. Balance of nanostructure and bimetallic interactions in Pt model fuel cell catalysts: In situ XAS and DFT study

    Journal of the American Chemical Society, Vol. 134, Núm. 23, pp. 9664-9671

2009

  1. Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project

    Journal of Chemical Physics, Vol. 131, Núm. 1