Publicaciones en colaboración con investigadoras/es de Forschungszentrum Jülich (18)

2024

  1. Quantum-centric supercomputing for materials science: A perspective on challenges and future directions

    Future Generation Computer Systems, Vol. 160, pp. 666-710

2023

  1. Microscopic theory of spin relaxation of a single Fe adatom coupled to substrate vibrations

    Physical Review B, Vol. 107, Núm. 14

2022

  1. Multiplet effects in the electronic correlation of one-dimensional magnetic transition metal oxides on metals

    Physical Review B, Vol. 106, Núm. 3

  2. Nature of interfacial Dzyaloshinskii-Moriya interactions in graphene/Co/Pt(111) multilayer heterostructures

    Physical Review B, Vol. 106, Núm. 6

2020

  1. Wannier90 as a community code: New features and applications

    Journal of Physics Condensed Matter, Vol. 32, Núm. 16

2019

  1. Atomic-scale spin sensing with a single molecule at the apex of a scanning tunneling microscope

    Science, Vol. 366, Núm. 6465, pp. 623-627

2018

  1. Ab initio investigation of impurity-induced in-gap states in Bi2Te3 and Bi2Se3

    Physical Review B, Vol. 98, Núm. 3

  2. Nondegenerate valleys in the half-metallic ferromagnet Fe/WS2

    Physical Review B, Vol. 97, Núm. 3

  3. Spin-fluctuation and spin-relaxation effects of single adatoms from first principles

    Journal of Physics Condensed Matter, Vol. 30, Núm. 34

  4. Strong Electron-Phonon and Band Structure Effects in the Optical Properties of High Pressure Metallic Hydrogen

    Physical Review Letters, Vol. 120, Núm. 5

2017

  1. A gateway towards non-collinear spin processing using three-atom magnets with strong substrate coupling

    Nature Communications, Vol. 8, Núm. 1

  2. Highly-ordered wide bandgap materials for quantized anomalous Hall and magnetoelectric effects

    2D Materials, Vol. 4, Núm. 2

  3. Longitudinal and transverse spin relaxation times of magnetic single adatoms: An ab initio analysis

    Physical Review B, Vol. 96, Núm. 14

  4. Tuning Paramagnetic Spin Excitations of Single Adatoms

    Physical Review Letters, Vol. 119, Núm. 1

2016

  1. Tight-binding models for ultracold atoms in optical lattices: general formulation and applications

    Science China: Physics, Mechanics and Astronomy, Vol. 59, Núm. 6

  2. Zero-point spin-fluctuations of single adatoms

    Nano Letters, Vol. 16, Núm. 7, pp. 4305-4311

2015

  1. Ab initio analysis of the topological phase diagram of the Haldane model

    Physical Review B - Condensed Matter and Materials Physics, Vol. 92, Núm. 19

2014

  1. Breakdown of the Peierls substitution for the Haldane model with ultracold atoms

    Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 90, Núm. 3