Tunnelling and zero-point motion in high-pressure ice M Benoit, D Marx, M Parrinello Nature 392 (6673), 258-261, 1998 | 498 | 1998 |
New high-pressure phase of ice M Benoit, M Bernasconi, P Focher, M Parrinello Physical review letters 76 (16), 2934, 1996 | 215 | 1996 |
Model of silica glass from combined classical and ab initio molecular-dynamics simulations M Benoit, S Ispas, P Jund, R Jullien The European Physical Journal B-Condensed Matter and Complex Systems 13, 631-636, 2000 | 168 | 2000 |
Structural properties of molten silicates from ab initio molecular-dynamics simulations: Comparison between and M Benoit, S Ispas, ME Tuckerman Physical Review B 64 (22), 224205, 2001 | 139 | 2001 |
First-Principles Calculation of the 17O NMR Parameters in Ca Oxide and Ca Aluminosilicates: the Partially Covalent Nature of the Ca−O Bond, a Challenge for … M Profeta, M Benoit, F Mauri, CJ Pickard Journal of the American Chemical Society 126 (39), 12628-12635, 2004 | 137 | 2004 |
Structural properties of a calcium aluminosilicate glass from molecular-dynamics simulations: A finite size effects study P Ganster, M Benoit, W Kob, JM Delaye The Journal of chemical physics 120 (21), 10172-10181, 2004 | 134 | 2004 |
Reassigning hydrogen-bond centering in dense ice M Benoit, AH Romero, D Marx Physical review letters 89 (14), 145501, 2002 | 116 | 2002 |
Structural and electronic properties of the sodium tetrasilicate glass from classical and ab initio molecular dynamics simulations S Ispas, M Benoit, P Jund, R Jullien Physical Review B 64 (21), 214206, 2001 | 112 | 2001 |
Signature of small rings in the Raman spectra of normal and compressed amorphous silica: A combined classical and ab initio study A Rahmani, M Benoit, C Benoit Physical Review B 68 (18), 184202, 2003 | 101 | 2003 |
The shapes of protons in hydrogen bonds depend on the bond length M Benoit, D Marx ChemPhysChem 6 (9), 1738-1741, 2005 | 100 | 2005 |
First-Principles Calculation of the 17O NMR Parameters of a Calcium Aluminosilicate Glass M Benoit, M Profeta, F Mauri, CJ Pickard, ME Tuckerman The Journal of Physical Chemistry B 109 (13), 6052-6060, 2005 | 97 | 2005 |
The vibrational dynamics of vitreous silica: Classical force fields vs. first principles M Benoit, W Kob Europhysics Letters 60 (2), 269, 2002 | 69 | 2002 |
Fully crystalline faceted Fe–Au core–shell nanoparticles C Langlois, P Benzo, R Arenal, M Benoit, J Nicolaï, N Combe, A Ponchet, ... Nano letters 15 (8), 5075-5080, 2015 | 66 | 2015 |
Fractionation of silicon isotopes in liquids: The importance of configurational disorder R Dupuis, M Benoit, E Nardin, M Méheut Chemical Geology 396, 239-254, 2015 | 64 | 2015 |
First-principles molecular-dynamics simulations of a hydrous silica melt: Structural properties and hydrogen diffusion mechanism M Pöhlmann, M Benoit, W Kob Physical Review B 70 (18), 184209, 2004 | 51 | 2004 |
Efficient calculation of free energy differences associated with isotopic substitution using path-integral molecular dynamics O Marsalek, PY Chen, R Dupuis, M Benoit, M Méheut, Z Bačić, ... Journal of chemical theory and computation 10 (4), 1440-1453, 2014 | 48 | 2014 |
Density functional theory investigations of titanium γ-surfaces and stacking faults M Benoit, N Tarrat, J Morillo Modelling and Simulation in Materials Science and Engineering 21 (1), 015009, 2012 | 47 | 2012 |
The role of quantum effects and ionic defects in high-density ice M Benoit, D Marx, M Parrinello Solid State Ionics 125 (1-4), 23-29, 1999 | 46 | 1999 |
Theoretical study of the atrazine pesticide interaction with pyrophyllite and Ca2+‐montmorillonite clay surfaces B Belzunces, S Hoyau, M Benoit, N Tarrat, F Bessac Journal of computational chemistry 38 (3), 133-143, 2017 | 44 | 2017 |
Structural properties of glassy and liquid sodium tetrasilicate: comparison between ab initio and classical molecular dynamics simulations S Ispas, M Benoit, P Jund, R Jullien Journal of non-crystalline solids 307, 946-955, 2002 | 41 | 2002 |