52 citations · 52 across the 5 of their papers we have counts for
3 papers · 1 filter
Ordered-to-disordered transfer learning with graph neural networks for formation-energy and HOMO-LUMO gap prediction in high-entropy perovskite oxides
Panupol Untarabut, Narjes Jomaa, Sylvian Cadars +4
High-entropy perovskite oxides (HEPOs) represent a chemically complex class of materials with promising functional properties, yet their vast compositional space and, chemical/stru…
Mapping the influence of symmetry breaking in structure-property relationships of ABO perovskites
Panupol Untarabut, Sylvian Cadars, Fabien Pascale +5
Perovskite oxides have emerged as an important class of material with promising energy applications owing to their compositional and structural flexibility, which enables stabiliza…
Modeling phase separation in polymer-derived silicon carbonitride ceramics through extended machine learning molecular dynamics
Fabien Mortier, Sylvian Cadars, Olivier Masson +5
Polymer-derived ceramics combine the thermal stability of ceramics with the versatile properties of carbon domains, but modeling their atomic-scale evolution during processing rema…