most citedAtomic scale structure and dynamical properties of (TeO)-(NaO) glasses through first-principles modeling and XRD measurements

1 citations · 1 across the 4 of their papers we have counts for

collaborators

4 papers

cond-mat.mtrl-sci2026

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…

cond-mat.mtrl-sci2026

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…

cond-mat.mtrl-sci2026

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…

cond-mat.mtrl-sci2025★ 1 cited

Atomic scale structure and dynamical properties of (TeO)-(NaO) glasses through first-principles modeling and XRD measurements

Firas Shuaib, Assil Bouzid, Remi Piotrowski +10

We resort to first-principles molecular dynamics, in synergy with experiments, to study structural evolution and Na cation diffusion inside (TeO)-(NaO) (x…