Publicaciones en colaboración con investigadores/as de Georgia Institute of Technology (5)

2023

  1. A deep learning framework to emulate density functional theory

    npj Computational Materials, Vol. 9, Núm. 1

2022

  1. Concentric Spherical Neural Network for 3D Representation Learning

    Proceedings of the International Joint Conference on Neural Networks

  2. Vapor-Phase Infiltration of Polymer of Intrinsic Microporosity 1 (PIM-1) with Trimethylaluminum (TMA) and Water: A Combined Computational and Experimental Study

    Journal of Physical Chemistry B, Vol. 126, Núm. 31, pp. 5920-5930

2020

  1. An Efficient Deep Learning Scheme to Predict the Electronic Structure of Materials and Molecules: The Example of Graphene-Derived Allotropes

    Journal of Physical Chemistry A, Vol. 124, Núm. 45, pp. 9496-9502

2014

  1. A theoretical study of the effect of Zr-, Nb-doped and vacancy-like defects on H desorption on MgH2 (110) surface

    Journal of Physical Chemistry C, Vol. 118, Núm. 8, pp. 4231-4237