Current research
Guido Ori research is primarily focused on the application of advanced atomic-scale modelling techniques (MD/MC, FPMD (BOMD, CPMD), MLIP) aiming to a true (quantitative) predictive power of structure, chemical bonding, dynamical and electronic properties for a wide range of materials (glasses, porous and hybrid materials) towards fundamental understanding and technological applications. He deepened his expertise on multifunctional glass-ceramics at the Imperial College of London in the framework of the EU funded network of excellence-knowledge based multifunctional materials and on hybrid materials at the MACS lab. at the Univ. of Montpellier and at the international UMI CNRS-MIT joint laboratory “MultiScale Materials Science for Energy and Environment” at the Massachusetts Institute of Technology.
Academic background
-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)