QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials P Giannozzi, S Baroni, N Bonini, M Calandra, R Car, C Cavazzoni, ...
Journal of physics: Condensed matter 21 (39), 395502, 2009
30034 2009 Promoting transparency and reproducibility in enhanced molecular simulations
Nature methods 16 (8), 670-673, 2019
782 2019 Overview of radiation induced point defects in silica-based optical fibers S Girard, A Alessi, N Richard, L Martin-Samos, V De Michele, ...
Reviews in Physics 4, 100032, 2019
327 2019 Atomic and electronic structure of the nonpolar M Bertelli, P Löptien, M Wenderoth, A Rizzi, RG Ulbrich, MC Righi, ...
Physical Review B—Condensed Matter and Materials Physics 80 (11), 115324, 2009
91 2009 Effect of molecular packing on corannulene-based materials electroluminescence L Zoppi, L Martin-Samos, KK Baldridge
Journal of the American Chemical Society 133 (35), 14002-14009, 2011
87 2011 Neutral self-defects in a silica model: A first-principles study L Martin-Samos, Y Limoge, JP Crocombette, G Roma, N Richard, ...
Physical Review B—Condensed Matter and Materials Physics 71 (1), 014116, 2005
80 2005 Silicon nanocrystallites in a R Guerra, I Marri, R Magri, L Martin-Samos, O Pulci, E Degoli, S Ossicini
Physical Review B—Condensed Matter and Materials Physics 79 (15), 155320, 2009
73 2009 SaX: An open source package for electronic-structure and optical-properties calculations in the GW approximation L Martin-Samos, G Bussi
Computer physics communications 180 (8), 1416-1425, 2009
50 2009 Radiation effects on silica-based preforms and optical fibers-II: Coupling Ab initio simulations and experiments S Girard, N Richard, Y Ouerdane, G Origlio, A Boukenter, L Martin-Samos, ...
IEEE Transactions on Nuclear Science 55 (6), 3508-3514, 2008
50 2008 First principle study of neutral and charged self-defects in amorphous SiO2 N Richard, L Martin-Samos, G Roma, Y Limoge, JP Crocombette
Journal of non-crystalline solids 351 (21-23), 1825-1829, 2005
48 2005 EPR parameters of L Giacomazzi, L Martin-Samos, A Boukenter, Y Ouerdane, S Girard, ...
Physical Review B 90 (1), 014108, 2014
46 2014 Enhancement of DFT-calculations at petascale: nuclear magnetic resonance, hybrid density functional theory and Car–Parrinello calculations N Varini, D Ceresoli, L Martin-Samos, I Girotto, C Cavazzoni
Computer Physics Communications 184 (8), 1827-1833, 2013
46 2013 Charged Oxygen Defects in L Martin-Samos, G Roma, P Rinke, Y Limoge
Physical review letters 104 (7), 075502, 2010
44 2010 Ab initio complex band structure of conjugated polymers: Effects of hydrid density functional theory and A Ferretti, G Mallia, L Martin-Samos, G Bussi, A Ruini, B Montanari, ...
Physical Review B—Condensed Matter and Materials Physics 85 (23), 235105, 2012
42 2012 Ge (2), Ge (1) and Ge-E′ centers in irradiated Ge-doped silica: a first-principles EPR study L Giacomazzi, L Martin-Samos, A Boukenter, Y Ouerdane, S Girard, ...
Optical Materials Express 5 (5), 1054-1064, 2015
39 2015 Finding reaction pathways and transition states: r-ARTn and d-ARTn as an efficient and versatile alternative to string approaches A Jay, C Huet, N Salles, M Gunde, L Martin-Samos, N Richard, G Landa, ...
Journal of Chemical Theory and Computation 16 (10), 6726-6734, 2020
37 2020 Coupled theoretical and experimental studies for the radiation hardening of silica-based optical fibers N Richard, S Girard, L Giacomazzi, L Martin-Samos, D Di Francesca, ...
2013 14th European Conference on Radiation and Its Effects on Components and …, 2013
35 2013 Oxygen deficient centers in silica: optical properties within many-body perturbation theory N Richard, L Martin-Samos, S Girard, A Ruini, A Boukenter, Y Ouerdane, ...
Journal of Physics: Condensed Matter 25 (33), 335502, 2013
33 2013 Oxygen neutral defects in silica: Origin of the distribution of the formation energies L Martin-Samos, Y Limoge, N Richard, JP Crocombette, G Roma, ...
Europhysics Letters 66 (5), 680, 2004
33 2004 Buckybowl superatom states: a unique route for electron transport? L Zoppi, L Martin-Samos, KK Baldridge
Physical Chemistry Chemical Physics 17 (8), 6114-6121, 2015
29 2015 
Nicolas RichardCEAAdresse e-mail validée de cea.fr
