| 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 | 27481 | 2009 |
| Promoting transparency and reproducibility in enhanced molecular simulations M Bonomi, G Bussi, C Camilloni, GA Tribello, P Banáš, A Barducci, ... Nature methods 16 (8), 670-673, 2019 | 416 | 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 | 284 | 2019 |
| Promoting transparency and reproducibility in enhanced molecular simulations Nature methods 16 (8), 670-673, 2019 | 225 | 2019 |
| Atomic and electronic structure of the nonpolar surface M Bertelli, P Löptien, M Wenderoth, A Rizzi, RG Ulbrich, MC Righi, ... Physical Review B 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 | 82 | 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 71 (1), 014116, 2005 | 79 | 2005 |
| Silicon nanocrystallites in a matrix: Role of disorder and size R Guerra, I Marri, R Magri, L Martin-Samos, O Pulci, E Degoli, S Ossicini Physical Review B 79 (15), 155320, 2009 | 72 | 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 | 46 | 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 | 45 | 2005 |
| Charged Oxygen Defects in : Going beyond Local and Semilocal Approximations to Density Functional Theory L Martin-Samos, G Roma, P Rinke, Y Limoge Physical review letters 104 (7), 075502, 2010 | 44 | 2010 |
| 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 | 42 | 2013 |
| Ab initio complex band structure of conjugated polymers: Effects of hydrid density functional theory and GW schemes A Ferretti, G Mallia, L Martin-Samos, G Bussi, A Ruini, B Montanari, ... Physical Review B 85 (23), 235105, 2012 | 41 | 2012 |
| EPR parameters of E′ centers in v− SiO 2 from first-principles calculations L Giacomazzi, L Martin-Samos, A Boukenter, Y Ouerdane, S Girard, ... Physical Review B 90 (1), 014108, 2014 | 40 | 2014 |
| 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 | 38 | 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 | 34 | 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 | 34 | 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 | 32 | 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 | 32 | 2004 |
Nicolas RichardCEAVerified email at cea.fr
