Roland Pellenq
Roland Pellenq
CNRS MIT
Verified email at mit.edu - Homepage
TitleCited byYear
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
5142009
Combinatorial molecular optimization of cement hydrates
MJA Qomi, KJ Krakowiak, M Bauchy, KL Stewart, R Shahsavari, ...
Nature communications 5, 4960, 2014
2212014
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
2152008
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
2152003
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
1632012
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
1561997
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
1482006
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
1462013
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
1462009
Intermolecular potential function for the physical adsorption of rare gases in silicalite
RJM Pellenq, D Nicholson
The Journal of Physical Chemistry 98 (50), 13339-13349, 1994
1461994
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
1422011
Molecular simulation of water confined in nanoporous silica
PA Bonnaud, B Coasne, RJM Pellenq
Journal of Physics: Condensed Matter 22 (28), 284110, 2010
1412010
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
1382011
Realistic molecular model of kerogen’s nanostructure
C Bousige, CM Ghimbeu, C Vix-Guterl, AE Pomerantz, A Suleimenova, ...
Nature materials 15 (5), 576, 2016
1372016
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
1362012
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
1362012
Grand canonical Monte Carlo simulation of argon adsorption at the surface of silica nanopores: effect of pore size, pore morphology, and surface roughness
B Coasne, RJM Pellenq
The Journal of chemical physics 120 (6), 2913-2922, 2004
1232004
Adsorption of simple gases in MCM-41 materials: the role of surface roughness
B Coasne, FR Hung, RJM Pellenq, FR Siperstein, KE Gubbins
Langmuir 22 (1), 194-202, 2006
1222006
Subcontinuum mass transport of condensed hydrocarbons in nanoporous media
K Falk, B Coasne, R Pellenq, FJ Ulm, L Bocquet
Nature communications 6, 6949, 2015
1162015
Why does concrete set?: The nature of cohesion forces in hardened cement-based materials
RJM Pellenq, H Van Damme
Mrs Bulletin 29 (5), 319-323, 2004
1162004
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