A. Bouzid

activity

20192026

most citedReaction pathway of oxygen evolution on Pt(111) revealed through constant Fermi level molecular dynamics

30 citations · 30 across the 3 of their papers we have counts for

collaborators

Showing cond-mat.mtrl-sciShow all

3 papers · 1 filter

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 $_{3}$ 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-sci2025

Atomic scale structure and dynamical properties of (TeO $_{2}$ ) $_{1 - x}$ -(Na $_{2}$ O) $_{x}$ 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 $_{2}$ ) $_{1 - x}$ -(Na $_{2}$ O) $_{x}$ (x…

Ordered-to-disordered transfer learning with graph neural networks for formation-energy and HOMO-LUMO gap prediction in high-entropy perovskite oxides

Mapping the influence of symmetry breaking in structure-property relationships of ABO3​ perovskites

Atomic scale structure and dynamical properties of (TeO2​)1−x​-(Na2​O)x​ glasses through first-principles modeling and XRD measurements

Mapping the influence of symmetry breaking in structure-property relationships of ABO $_{3}$ perovskites

Atomic scale structure and dynamical properties of (TeO $_{2}$ ) $_{1 - x}$ -(Na $_{2}$ O) $_{x}$ glasses through first-principles modeling and XRD measurements