Recherches actuelles
La recherche de GO se concentre principalement sur l’application de techniques de modélisation atomique avancées (MD/MC, FPMD (BOMD, CPMD), MLIP), visant à une véritable capacité prédictive quantitative des structures, des liaisons chimiques, ainsi que des propriétés dynamiques et électroniques pour une large gamme de matériaux (verres, matériaux poreux et hybrides), dans le but d’une compréhension fondamentale et d’applications technologiques. Il a approfondi son expertise sur les vitrocéramiques multifonctionnelles à l’Imperial College de Londres dans le cadre du réseau d’excellence financé par l’UE sur les matériaux multifonctionnels basés sur la connaissance. Il a également travaillé sur les matériaux hybrides au laboratoire MACS de l’Université de Montpellier et au laboratoire international conjoint UMI CNRS-MIT « MultiScale Materials Science for Energy and Environment » au Massachusetts Institute of Technology.
Parcours universitaire
-2024.06.19 Habilitation à diriger des Recherches (HDR) entitled: “Quantitative predictive modeling of complex disordered and hybrid materials for memory and energy applications“, Strasbourg
– 2014.12-present CNRS Researcher (CNCR), IPCMS UMR7504, Strasbourg
– 2012.09-2014.11 Visiting Postdoctoral Researcher at MSE2 UMI CNRS-MIT, Cambridge (USA)
– 2012.04-2013.08 Postdoctoral Researcher, MACS-ICG Laboratory, Montpellier (FRA)
– 2011.05-2011.12 Postdoctoral Researcher (CDD), IPCMS, Strasbourg (FRA)
– 2010.01-2011.04 Postdoctoral Researcher, University of Modena and Reggio Emilia (ITA)
– 2008.04-2008.07 Ph.D. research collaboration, Imperial College of London EU-NoE-KMM- (UK)
– 2007.01-2010.03 Ph.D. in Multiscale Modelling, Depart. of Materials and Envir. Eng., Univ. of Modena and RE (ITA)
Publications
Multikernel similarity-based clustering of amorphous systems and MLIP by active learning. F. Shuaib, G. Ori, P. Thomas, O. Masson, A. Bouzid. J. Am.. Ceram. Soc. (2024). 10.1111/jace.20128
Direct cationization of citrate-coated gold and silver nanoparticles. M Barbalinardo, G Ori, L Lungaro, G Caio, A Migliori, D Gentili J. Phys. Chem. C (2024). 10.1021/acs.jpcc.4c04931
Quantitative assessment of the structure and bonding properties of 50VxOy-50P2O5 glass by classical and BOMD SD Wansi Wendji et al. J. Non-Cryst. Solids 634, 122967 (2024). 10.1016/j.jnoncrysol.2024.122967
Structural properties of amorphous Na3OCl electrolyte by first-principles and machine learning MD. TL Pham et al. (2024) arXiv:2404.11442
Thermal conductivity of crystalline GST: lattice contribution and size effects quantified by AEMD. I Bel-Hadj, M Guerboub et al. J. Phys. D: Appl. Phys. 57, 235303 (2024). 10.1088/1361-6463/ad316b
Unveiling the structure and ions dynamics of amorphous Na3−xOHxCl antiperovskite electrolytes by FPMD TL Pham et al. J. Mater. Chem. A 11, 22922 – 22940 (2023). 10.1039/D3TA01373A
Structural, hydrogen bonding and dipolar properties of alkyl imidazolium-based ionic liquids: a classical and first-principles molecular dynamics study IA Essomba, M Boero, K Falk, G Ori (2022). arXiv:2211.13385
Reversible assembly of nanoparticles: theory, strategies and computational simulations D Gentili, G Ori
Nanoscale 14, 14385-14432 (2022). 10.1039/D2NR02640F
Thermal conductivity of amorphous SiO2 by first-principles molecular dynamics E Martin et al. J. Non-Cryst. Solids 581, 121434 (2022). 10.1016/j.jnoncrysol.2022.121434
Structural, dynamical, and electronic properties of the ionic liquid EMIM-TFSI K Ishisone et al. Phys. Chem. Chem. Phys. 24, 9597-9607 (2022). 10.1039/D2CP00741J
Quantitative assessment of the structure of GTI chalcohalide glass by FPMD. Bouzid et al. Phys. Rev. B. 103, 094204 (2021). 10.1103/PhysRevB.103.094204
First-principles thermal transport in amorphous Ge2Sb2Te5 at the nanoscale. Duong et al. RSC Advances 11, 10747 (2021). 10.1039/D0RA10408F
Chalcogenide glasses as a playground for the application of first-principles molecular dynamics to disordered materials. Ori et al. Solid State Sci. 95, 105925 (2019)
The structure and dipolar properties of CO2 adsorbed in a porous glassy chalcogel: Insights from FPMD. Chaker,.. Ori et al., J. Non-Cryst. Solids 498, 288 (2018)