2.4k citations · 6k across the 20 of their papers we have counts for
Showing 2022Show all
2 papers · 1 filter
cond-mat.mtrl-sci2022
Spinel nitride solid solutions: charting properties in the configurational space with explainable machine learning
Pablo Sánchez-Palencia, Said Hamad, Pablo Palacios +2
Ab initio prediction of the variation of properties in the configurational space of solid solutions is computationally very demanding. We present an approach to accelerate these pr…
cond-mat.mtrl-sci2022★ 4 cited
Co-substituted BiFeO3: electronic, ferroelectric, and thermodynamic properties from first principles
Shivani Grover, Keith T. Butler, Umesh V Waghmare +1
Bismuth ferrite, BiFeO3, is a multiferroic solid that is attracting increasing attention as a potential photocatalytic material, because the ferroelectric polarisation enhances the…