Publicaciones en colaboración con investigadores/as de Rutherford Appleton Laboratory (7)

2022

  1. Spinel nitride solid solutions: charting properties in the configurational space with explainable machine learning†

    Digital Discovery, Vol. 1, Núm. 5, pp. 665-678

  2. Understanding the stability and structural properties of ordered nanoporous metals towards their rational synthesis

    Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 478, Núm. 2266

2021

  1. Bandgap Engineering in the Configurational Space of Solid Solutions via Machine Learning: (Mg,Zn)O Case Study

    Journal of Physical Chemistry Letters, Vol. 12, pp. 5163-5168

  2. Metastable Zr/Hf-MOFs: The hexagonal family of EHU-30 and their water-sorption induced structural transformation

    Inorganic Chemistry Frontiers, Vol. 8, Núm. 22, pp. 4767-4779

2020

  1. Further Extending the Dilution Range of the "solvent-in-DES" Regime upon the Replacement of Water by an Organic Solvent with Hydrogen Bond Capabilities

    ACS Sustainable Chemistry and Engineering, Vol. 8, Núm. 32, pp. 12120-12131

2019

  1. Looking at the "water-in-Deep-Eutectic-Solvent" System: A Dilution Range for High Performance Eutectics

    ACS Sustainable Chemistry and Engineering, Vol. 7, Núm. 21, pp. 17565-17573

2004

  1. A molecular dynamics study on Rh3+ hydration: Development and application of a first principles hydrated ion-water interaction potential

    Theoretical Chemistry Accounts, Vol. 111, Núm. 2-6, pp. 101-109