Publicaciones en colaboración con investigadores/as de University of Vienna (5)

2024

  1. Comparing machine learning potentials for water: Kernel-based regression and Behler-Parrinello neural networks

    Journal of Chemical Physics, Vol. 160, Núm. 11

  2. Density isobar of water and melting temperature of ice: Assessing common density functionals

    Journal of Chemical Physics, Vol. 161, Núm. 13

  3. Perspective: Atomistic simulations of water and aqueous systems with machine learning potentials

    Journal of Chemical Physics, Vol. 160, Núm. 17

2023

  1. Minimum in the pressure dependence of the interfacial free energy between ice Ih and water

    Journal of Chemical Physics, Vol. 158, Núm. 12

  2. The kinetics of the ice-water interface from ab initio machine learning simulations

    Journal of Chemical Physics, Vol. 158, Núm. 20