204 citations · 978 across the 32 of their papers we have counts for
3 papers · 1 filter
Predicting Thermoelectric Transport Properties from Composition with Attention-based Deep Learning
Luis M. Antunes, Keith T. Butler, Ricardo Grau-Crespo
Thermoelectric materials can be used to construct devices which recycle waste heat into electricity. However, the best known thermoelectrics are based on rare, expensive or even to…
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…
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…