| Ring statistics analysis of topological networks: New approach and application to amorphous GeS2 and SiO2 systems S Le Roux, P Jund Computational Materials Science 49 (1), 70-83, 2010 | 492 | 2010 |
| ISAACS–interactive structure analysis of amorphous and crystalline systems S Le Roux, V Petkov Journal of Applied Crystallography 43 (1), 181-185, 2010 | 332 | 2010 |
| Structure, topology, rings, and vibrational and electronic properties of GeSe glasses across the rigidity transition: A numerical study M Micoulaut, A Kachmar, M Bauchy, S Le Roux, C Massobrio, M Boero Physical Review B—Condensed Matter and Materials Physics 88 (5), 054203, 2013 | 100 | 2013 |
| Angular rigidity in tetrahedral network glasses with changing composition M Bauchy, M Micoulaut, M Celino, S Le Roux, M Boero, C Massobrio Physical Review B—Condensed Matter and Materials Physics 84 (5), 054201, 2011 | 96 | 2011 |
| Origin of structural analogies and differences between the atomic structures of GeSe4 and GeS4 glasses: A first principles study A Bouzid, S Le Roux, G Ori, M Boero, C Massobrio The Journal of chemical physics 143 (3), 2015 | 42 | 2015 |
| First-principles molecular dynamics study of glassy GeS: Atomic structure and bonding properties M Celino, S Le Roux, G Ori, B Coasne, A Bouzid, M Boero, C Massobrio Physical Review B—Condensed Matter and Materials Physics 88 (17), 174201, 2013 | 42 | 2013 |
| Structural properties of glassy GeSe from first-principles molecular dynamics S Le Roux, A Bouzid, M Boero, C Massobrio Physical Review B—Condensed Matter and Materials Physics 86 (22), 224201, 2012 | 41 | 2012 |
| Density-driven defect-mediated network collapse of glass K Wezka, A Bouzid, KJ Pizzey, PS Salmon, A Zeidler, S Klotz, HE Fischer, ... Physical Review B 90 (5), 054206, 2014 | 35 | 2014 |
| The structure of liquid GeSe revisited: A first principles molecular dynamics study S Le Roux, A Bouzid, M Boero, C Massobrio The Journal of chemical physics 138 (17), 2013 | 27 | 2013 |
| Structural properties of liquid GeSe: A first-principles study S Le Roux, A Zeidler, PS Salmon, M Boero, M Micoulaut, C Massobrio Physical Review B—Condensed Matter and Materials Physics 84 (13), 134203, 2011 | 26 | 2011 |
| Investigation of size effects on the structure of liquid GeSe2 calculated via first-principles molecular dynamics M Micoulaut, S Le Roux, C Massobrio The Journal of chemical physics 136 (22), 2012 | 22 | 2012 |
| On the occurrence of size effects in the calculation of thermal conductivity by first-principles molecular dynamics: The case of glassy GeTe4 E Martin, PL Palla, F Cleri, A Bouzid, G Ori, S Le Roux, M Boero, ... Journal of Non-Crystalline Solids 498, 190-193, 2018 | 21 | 2018 |
| Network connectivity and extended Se chains in the atomic structure of glassy GeSe4 K Sykina, E Furet, B Bureau, S Le Roux, C Massobrio Chemical Physics Letters 547, 30-34, 2012 | 21 | 2012 |
| Influence of the cooling rate on the glass transition temperature and the structural properties of glassy GeS2: an ab initio molecular dynamics study S Le Roux, P Jund Journal of Physics: Condensed Matter 19 (19), 196102, 2007 | 21 | 2007 |
| Three-dimensional structure of multicomponent (Na2O) 0.35 [(P2O5) 1− x (B2O3) x] 0.65 glasses by high-energy x-ray diffraction and constrained reverse Monte Carlo simulations S Le Roux, S Martin, R Christensen, Y Ren, V Petkov Journal of Physics: Condensed Matter 23 (3), 035403, 2011 | 19 | 2011 |
| Synthesis of bis-2H and 4H-chalcogenapyrans and benzochalcogenapyrans via Pd0 catalyzed dimerization of Fischer type carbene complexes: redox properties and electronic … N Faux, F Robin-Le Guen, P Le Poul, B Caro, N Le Poul, Y Le Mest, ... Tetrahedron 63 (30), 7142-7153, 2007 | 19 | 2007 |
| Structure of amorphous GeSe9 by neutron diffraction and first-principles molecular dynamics: Impact of trajectory sampling and size effects S Le Roux, A Bouzid, KY Kim, S Han, A Zeidler, PS Salmon, C Massobrio The Journal of chemical physics 145 (8), 2016 | 11 | 2016 |
| Sensitivity to dispersion forces in first-principles modeling of disordered chalcogenides C Massobrio, E Martin, Z Chaker, M Boero, A Bouzid, S Le Roux, G Ori Frontiers in Materials 5, 78, 2018 | 10 | 2018 |
| The role of dispersion forces on the atomic structure of glassy chalcogenides: The case of GeSe4 and GeS4 Z Chaker, G Ori, C Tugene, S Le Roux, M Boero, C Massobrio, E Martin, ... Journal of Non-Crystalline Solids 499, 167-172, 2018 | 10 | 2018 |
| Metal–organic molecule–metal nano-junctions: a close contact between first-principles simulations and experiments DM Djimbi, S Le Roux, C Massobrio, M Boero Journal of Physics: Condensed Matter 26 (10), 104206, 2014 | 9 | 2014 |
