Roland J.-M. pellenq
Roland J.-M. pellenq
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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
Combinatorial molecular optimization of cement hydrates
MJ Abdolhosseini Qomi, KJ Krakowiak, M Bauchy, KL Stewart, ...
Nature communications 5 (1), 4960, 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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
Poromechanics of microporous media
L Brochard, M Vandamme, RJM Pellenq
Journal of the Mechanics and Physics of Solids 60 (4), 606-622, 2012
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