Publicaciones en colaboración con investigadoras/es de Donostia International Physics Center (3)

2024

  1. Time evolution of natural orbitals in ab initio molecular dynamics

    Journal of Chemical Physics, Vol. 160, Núm. 7

2021

  1. High-Dimensional Atomistic Neural Network Potential to Study the Alignment-Resolved O2 Scattering from Highly Oriented Pyrolytic Graphite

    The journal of physical chemistry. A, Vol. 125, Núm. 12, pp. 2588-2600

2019

  1. Ab Initio Molecular Dynamics Study of Alignment-Resolved O2 Scattering from Highly Oriented Pyrolytic Graphite

    Journal of Physical Chemistry C, Vol. 123, Núm. 51, pp. 31094-31102