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The Journal of Chemical Physics|August 24, 2020
Thermal resistance of an interfacial molecular layer by first-principles molecular dynamicsThuy-Quynh Duong, Carlo Massobrio, Guido Ori, et al.
RSC Advances|April 15, 2022
First-principles thermal transport in amorphous Ge<sub>2</sub>Sb<sub>2</sub>Te<sub>5</sub> at the nanoscaleThuy-Quynh Duong, Assil Bouzid, Carlo Massobrio, et al.
The Journal of Physical Chemistry. B|November 30, 2020
Atomic Structure of Glassy GeTe<sub>4</sub> as a Playground to Assess the Performances of Density Functional Schemes Accounting for Dispersion ForcesPier Luigi Silvestrelli, Evelyne Martin, Mauro Boero, et al.
Molecules (Basel, Switzerland)|December 23, 2022
Impact of Dispersion Force Schemes on Liquid Systems: Comparing Efficiency and Drawbacks for Well-Targeted Test CasesEvelyne Martin, Iréné Bérenger Amiehe Essomba, Kana Ishisone, et al.
Nanotechnology|January 13, 2012
Immobilization of monolayer protected lipophilic gold nanorods on a glass surfaceGuido Ori, Denis Gentili, Massimiliano Cavallini, et al.
The Journal of Chemical Physics|March 1, 2023
Impact of the local atomic structure on the thermal conductivity of amorphous Ge<sub>2</sub>Sb<sub>2</sub>Te<sub>5</sub>Mohammed Guerboub, Steve Dave Wansi Wendji, Carlo Massobrio, et al.
Physical Chemistry Chemical Physics : PCCP|March 30, 2017
Thermal conductivity of glassy GeTe<sub>4</sub> by first-principles molecular dynamicsAssil Bouzid, Hayat Zaoui, Pier Luca Palla, et al.
Physical Chemistry Chemical Physics : PCCP|July 1, 2026
First-principles modeling of polysilazane-derived SiCNH ceramics: insights into the organization of the free-carbon phaseFabien Mortier, Sylvian Cadars, Marwan Ben Miled, et al.
Physical Chemistry Chemical Physics : PCCP|August 11, 2025
Atomic scale structure and dynamical properties of (TeO<sub>2</sub>)<sub>1-<i>x</i></sub>-(Na<sub>2</sub>O)<sub><i>x</i></sub> glasses through first-principles modeling and XRD measurementsFiras Shuaib, Assil Bouzid, Remi Piotrowski, et al.
Chemical Communications (Cambridge, England)|June 20, 2025
Structure, bonding and ionic mobility in Na-V-P-O glasses for energy storage applicationsSteve Dave Wansi Wendji, Rémi Piotrowski, Antonio Familiari, et al.
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