Publicaciones en colaboración con investigadoras/es de Technical University of Denmark (18)

2024

  1. Ab Initio Calculations of Quantum Light-Matter Interactions in General Electromagnetic Environments

    Journal of Chemical Theory and Computation, Vol. 20, Núm. 2, pp. 926-936

  2. Quantum materials engineering by structured cavity vacuum fluctuations

    Materials for Quantum Technology

2023

  1. Link between interlayer hybridization and ultrafast charge transfer in WS2-graphene heterostructures

    2D Materials, Vol. 10, Núm. 3

  2. Time-based Chern number in periodically driven systems in the adiabatic limit

    Physical Review Research, Vol. 5, Núm. 1

2016

  1. Electronic Structure of Low-Dimensional Carbon π-Systems

    Journal of Physical Chemistry C, Vol. 120, Núm. 23, pp. 12362-12368

2015

  1. Design of two-photon molecular tandem architectures for solar cells by ab initio theory

    Chemical Science, Vol. 6, Núm. 5, pp. 3018-3025

2013

  1. Design of solar cell materials via soft X-ray spectroscopy

    Journal of Electron Spectroscopy and Related Phenomena, Vol. 190, Núm. PART A, pp. 2-11

  2. Electronic structure of Fe-vs. Ru-based dye molecules

    Journal of Chemical Physics, Vol. 138, Núm. 4

  3. Influence of axial and peripheral ligands on the electronic structure of titanium phthalocyanines

    Journal of Physical Chemistry C, Vol. 117, Núm. 9, pp. 4410-4420

2012

  1. Inversed linear dichroism in F K-edge NEXAFS spectra of fluorinated planar aromatic molecules

    Physical Review B - Condensed Matter and Materials Physics, Vol. 86, Núm. 7

2010

  1. Communication: Systematic shifts of the lowest unoccupied molecular orbital peak in x-ray absorption for a series of 3d metal porphyrins

    Journal of Chemical Physics, Vol. 133, Núm. 15

  2. Designing multifunctional chemical sensors using Ni and Cu doped carbon nanotubes

    Physica Status Solidi (B) Basic Research, Vol. 247, Núm. 11-12, pp. 2678-2682

  3. Modeling nanoscale gas sensors under realistic conditions: Computational screening of metal-doped carbon nanotubes

    Physical Review B - Condensed Matter and Materials Physics, Vol. 81, Núm. 24

2009

  1. Hot-electron-assisted femtochemistry at surfaces: A time-dependent density functional theory approach

    Physical Review B - Condensed Matter and Materials Physics, Vol. 79, Núm. 19

  2. Polarization-induced renormalization of molecular levels at metallic and semiconducting surfaces

    Physical Review B - Condensed Matter and Materials Physics, Vol. 80, Núm. 24

  3. Renormalization of molecular quasiparticle levels at metal-molecule interfaces: Trends across binding regimes

    Physical Review Letters, Vol. 102, Núm. 4

2008

  1. Conductance of sidewall-functionalized carbon nanotubes: Universal dependence on adsorption sites

    Physical Review Letters, Vol. 101, Núm. 23

  2. Conserving GW scheme for nonequilibrium quantum transport in molecular contacts

    Physical Review B - Condensed Matter and Materials Physics, Vol. 77, Núm. 11