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Confined water dissociation in microporous defective silicates: Mechanism, dipole distribution, and impact on substrate properties. Journal of the American Chemical Society. 134(4):2208–2215.. 2012.
Hydration of calcium oxide surface predicted by reactive force field molecular dynamics. Langmuir. 28(9):4187–4197.. 2012.
Impact of Chemical Impurities on the Crystalline Cement Clinker Phases Determined by Atomistic Simulations. Crystal Growth & Design. 11(7):2964-2972.. 2011.
Kinetic Simulations of Cement Creep: Mechanisms from Shear Deformations of Glasses. 10th International Conference on Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete and Concrete StructuresCONCREEP 10. CONCREEP 10: MECHANICS AND PHYSICS OF CREEP, SHRINKAGE, AND DURABILITY OF CONCRETE AND CONCRETE STRUCTURES:555-564.. 2015.
Modelling cement at fundamental scales: From atoms to engineering strength and durability. Euro-C Conference. COMPUTATIONAL MODELLING OF CONCRETE STRUCTURES, VOL 1:139-148.. 2014.
Understanding and Controlling the Reactivity of the Calcium Silicate phases from First Principles. Chemistry of Materials. 24(7):1262–1267.. 2012.
Water Isotherms, Shrinkage and Creep of Cement Paste: Hypotheses, Models and Experiments. Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete: A Tribute to Zdenek P. Bażant.. 2013.