G. Ori

activity

20222026

most citedStructural, hydrogen bonding and dipolar properties of alkyl imidazolium-based ionic liquids: a classical and first-principles molecular dynamics study

1 citations · 2 across the 4 of their papers we have counts for

collaborators

4 papers

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 $_{2}$ ) $_{1 - x}$ -(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…

cond-mat.mtrl-sci2022★ 1 cited

Structural, hydrogen bonding and dipolar properties of alkyl imidazolium-based ionic liquids: a classical and first-principles molecular dynamics study

Irene Amiehe Essomba, Mauro Boero, Kerstin Falk +1

Ionic liquids (ILs) feature a tailorable and wide range of structural, chemical and electronic properties that make this class of materials suitable to a broad variety of forefront…

cond-mat.mtrl-sci2022

Atomic structure of amorphous SiN: combining Car-Parrinello and Born-Oppenheimer first-principles molecular dynamics

Achille Lambrecht, Carlo Massobrio, Mauro Boero +2

First-principles molecular dynamics is employed to describe the atomic structure of amorphous SiN, a non-stoichiometric compound belonging to the Si $_{x}$ N $_{y}$ family. To produce t…

Modeling phase separation in polymer-derived silicon carbonitride ceramics through extended machine learning molecular dynamics

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

Structural, hydrogen bonding and dipolar properties of alkyl imidazolium-based ionic liquids: a classical and first-principles molecular dynamics study

Atomic structure of amorphous SiN: combining Car-Parrinello and Born-Oppenheimer first-principles molecular dynamics

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