Roland J.-M. Pellenq

Overview

Best Publications

• A realistic molecular model of cement hydrates

  Roland J. M. Pellenq;Akihiro Kushima;Rouzbeh Shahsavari;Krystyn J. Van Vliet

  1149
  Citations

• Combinatorial molecular optimization of cement hydrates

  M.J. Abdolhosseini Qomi;K.J. Krakowiak;M. Bauchy;M. Bauchy;M. Bauchy;K.L. Stewart

  586
  Citations

• Realistic molecular model of kerogen's nanostructure

  Colin Bousige;Camélia Matei Ghimbeu;Cathie Vix-Guterl;Andrew E. Pomerantz

  391
  Citations

• Engineering the bonding scheme in C–S–H: The iono-covalent framework

  R.J.-M. Pellenq;N. Lequeux;H. van Damme

  349
  Citations

• Confined water dissociation in microporous defective silicates: mechanism, dipole distribution, and impact on substrate properties.

  Hegoi Manzano;Sina Moeini;Francis Marinelli;Adri C.T. Van Duin

  345
  Citations

• Subcontinuum mass transport of condensed hydrocarbons in nanoporous media

  Kerstin Falk;Benoit Coasne;Roland Pellenq;Franz-Josef Ulm

  333
  Citations

• Empirical force fields for complex hydrated calcio-silicate layered materials

  Rouzbeh Shahsavari;Roland J.-M. Pellenq;Roland J.-M. Pellenq;Franz-Josef Ulm

  323
  Citations

• Adsorption, intrusion and freezing in porous silica: the view from the nanoscale

  Benoit Coasne;Benoit Coasne;Benoit Coasne;Anne Galarneau;Roland J. M. Pellenq;Roland J. M. Pellenq;Francesco Di Renzo

  292
  Citations

• Glassy Nature of Water in an Ultraconfining Disordered Material: The Case of Calcium−Silicate−Hydrate

  Mostafa Youssef;Roland J.-M. Pellenq;Bilge Yildiz

  290
  Citations

• Structural modeling of porous carbons: Constrained reverse Monte Carlo method

  Jorge Pikunic;Christian Clinard;Nathalie Cohaut;Keith E. Gubbins

  282
  Citations

• Adsorption-induced deformation of microporous materials: coal swelling induced by CO2-CH4 competitive adsorption.

  Laurent Brochard;Matthieu Vandamme;Roland J.-M. Pellenq;Roland J.-M. Pellenq;Teddy Fen-Chong

  279
  Citations

• Mesoscale texture of cement hydrates

  Katerina Ioannidou;Konrad J. Krakowiak;Mathieu Bauchy;Christian G. Hoover

  271
  Citations

• Hydration of Calcium Oxide Surface Predicted by Reactive Force Field Molecular Dynamics

  Hegoi Manzano;Roland J.M. Pellenq;Roland J.M. Pellenq;Franz Josef Ulm;Markus J. Buehler

  269
  Citations

• First-Principles Study of Elastic Constants and Interlayer Interactions of Complex Hydrated Oxides: Case Study of Tobermorite and Jennite

  Rouzbeh Shahsavari;Markus J. Buehler;Roland J.-M. Pellenq;Roland J.-M. Pellenq;Franz-Josef Ulm

  269
  Citations

• cemff: A force field database for cementitious materials including validations, applications and opportunities

  Ratan K. Mishra;Aslam Kunhi Mohamed;David Geissbühler;Hegoi Manzano

  243
  Citations

• Nanostructure and nanomechanics of cement: polydisperse colloidal packing.

  E. Masoero;E. Del Gado;R. J.-M. Pellenq;R. J.-M. Pellenq;F.-J. Ulm

  229
  Citations

• Analyzing the Raman Spectra of Graphenic Carbon Materials from Kerogens to Nanotubes: What Type of Information Can Be Extracted from Defect Bands?

  Unknown

  223
  Citations

• Molecular modeling of porous carbons using the hybrid reverse Monte Carlo method.

  Surendra K. Jain;Roland J.-M. Pellenq;Jorge P. Pikunic;Keith E. Gubbins

  221
  Citations

• Thermodynamics of water confined in porous calcium-silicate-hydrates.

  P. A. Bonnaud;Q. Ji;Benoit Coasne;R. J.-M. Pellenq

  214
  Citations

• Electrostatic Attraction between Two Charged Surfaces: A (N,V,T) Monte Carlo Simulation

  R. J.-M. Pellenq;J. M. Caillol;A. Delville

  211
  Citations

• Fracture toughness of calcium-silicate-hydrate from molecular dynamics simulations

  M. Bauchy;H. Laubie;M.J. Abdolhosseini Qomi;C.G. Hoover

  210
  Citations