| A realistic molecular model of cement hydrates RJM Pellenq, A Kushima, R Shahsavari, KJ Van Vliet, MJ Buehler, S Yip, ... Proceedings of the National Academy of Sciences 106 (38), 16102-16107, 2009 | 1014 | 2009 |
| Combinatorial molecular optimization of cement hydrates MJ Abdolhosseini Qomi, KJ Krakowiak, M Bauchy, KL Stewart, ... Nature communications 5 (1), 4960, 2014 | 531 | 2014 |
| Realistic molecular model of kerogen’s nanostructure C Bousige, CM Ghimbeu, C Vix-Guterl, AE Pomerantz, A Suleimenova, ... Nature materials 15 (5), 576-582, 2016 | 370 | 2016 |
| Engineering the bonding scheme in C–S–H: The iono-covalent framework RJM Pellenq, N Lequeux, H Van Damme Cement and Concrete Research 38 (2), 159-174, 2008 | 333 | 2008 |
| Confined water dissociation in microporous defective silicates: mechanism, dipole distribution, and impact on substrate properties H Manzano, S Moeini, F Marinelli, ACT Van Duin, FJ Ulm, RJM Pellenq Journal of the American Chemical Society 134 (4), 2208-2215, 2012 | 310 | 2012 |
| Subcontinuum mass transport of condensed hydrocarbons in nanoporous media K Falk, B Coasne, R Pellenq, FJ Ulm, L Bocquet Nature communications 6 (1), 6949, 2015 | 309 | 2015 |
| Empirical force fields for complex hydrated calcio-silicate layered materials R Shahsavari, RJM Pellenq, FJ Ulm Physical Chemistry Chemical Physics 13 (3), 1002-1011, 2011 | 289 | 2011 |
| Structural modeling of porous carbons: constrained reverse Monte Carlo method J Pikunic, C Clinard, N Cohaut, KE Gubbins, JM Guet, RJM Pellenq, ... Langmuir 19 (20), 8565-8582, 2003 | 272 | 2003 |
| Adsorption, intrusion and freezing in porous silica: the view from the nanoscale B Coasne, A Galarneau, RJM Pellenq, F Di Renzo Chemical Society Reviews 42 (9), 4141-4171, 2013 | 260 | 2013 |
| Glassy nature of water in an ultraconfining disordered material: the case of calcium− silicate− hydrate M Youssef, RJM Pellenq, B Yildiz Journal of the American Chemical Society 133 (8), 2499-2510, 2011 | 258 | 2011 |
| First‐principles study of elastic constants and interlayer interactions of complex hydrated oxides: Case study of tobermorite and jennite R Shahsavari, MJ Buehler, RJM Pellenq, FJ Ulm Journal of the American Ceramic Society 92 (10), 2323-2330, 2009 | 250 | 2009 |
| Adsorption-Induced Deformation of Microporous Materials: Coal Swelling Induced by CO2–CH4 Competitive Adsorption L Brochard, M Vandamme, RJM Pellenq, T Fen-Chong Langmuir 28 (5), 2659-2670, 2012 | 240 | 2012 |
| Mesoscale texture of cement hydrates K Ioannidou, KJ Krakowiak, M Bauchy, CG Hoover, E Masoero, S Yip, ... Proceedings of the National Academy of Sciences 113 (8), 2029-2034, 2016 | 235 | 2016 |
| Hydration of calcium oxide surface predicted by reactive force field molecular dynamics H Manzano, RJM Pellenq, FJ Ulm, MJ Buehler, ACT Van Duin Langmuir 28 (9), 4187-4197, 2012 | 234 | 2012 |
| Nanostructure and nanomechanics of cement: polydisperse colloidal packing E Masoero, E Del Gado, RJM Pellenq, FJ Ulm, S Yip Physical review letters 109 (15), 155503, 2012 | 220 | 2012 |
| Molecular modeling of porous carbons using the hybrid reverse Monte Carlo method SK Jain, RJM Pellenq, JP Pikunic, KE Gubbins Langmuir 22 (24), 9942-9948, 2006 | 204 | 2006 |
| Electrostatic Attraction between Two Charged Surfaces: A (N,V,T) Monte Carlo Simulation RJM Pellenq, JM Caillol, A Delville The Journal of Physical Chemistry B 101 (42), 8584-8594, 1997 | 199 | 1997 |
| Thermodynamics of water confined in porous calcium-silicate-hydrates PA Bonnaud, Q Ji, B Coasne, RJM Pellenq, KJ Van Vliet Langmuir 28 (31), 11422-11432, 2012 | 197 | 2012 |
| Fracture toughness of calcium–silicate–hydrate from molecular dynamics simulations M Bauchy, H Laubie, MJA Qomi, CG Hoover, FJ Ulm, RJM Pellenq Journal of Non-Crystalline Solids 419, 58-64, 2015 | 196 | 2015 |
| cemff: A force field database for cementitious materials including validations, applications and opportunities RK Mishra, AK Mohamed, D Geissbühler, H Manzano, T Jamil, ... Cement and Concrete Research 102, 68-89, 2017 | 185 | 2017 |
