Publications
Empirical force fields for complex hydrated calcio-silicate layered materials. Phys. Chem. Chem. Phys.. 13(3):1002-1011.
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2010. Adsorption-induced deformation of microporous materials: coal swelling induced by co2–ch4 competitive adsorption. Langmuir. 28:2659–2670.
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2011. An atomistic modelling of the porosity impact on UO2 matrix macroscopic properties. Journal of Nuclear Materials. 415(2):210-216.
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2011. Compressive strength of an unsaturated granular material during cementation. Symposium on Science and Technology of Powders and Sintered Materials (STPMF 2009). POWDER TECHNOLOGY:308-311.
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2011. Enhanced CO2 Solubility in Hybrid MCM-41: Molecular Simulations and Experiments. Langmuir. 27(13):8187-8197.
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2011. Enhanced CO2 Solubility in Hybrid MCM-41: Molecular Simulations and Experiments. Langmuir. 27(13):8187-8197.
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2011. Enhanced CO2 Solubility in Hybrid MCM-41: Molecular Simulations and Experiments. Langmuir. 27(13):8187-8197.
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2011. Glassy Nature of Water in an Ultraconfining Disordered Material: The Case of Calcium−Silicate−Hydrate. Journal of the American Chemical Society. 133(8):2499-2510.
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2011. Impact of Chemical Impurities on the Crystalline Cement Clinker Phases Determined by Atomistic Simulations. Crystal Growth & Design. 11(7):2964-2972.
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2011. Modeling Porous Granular Aggregates. 9th International Workshop on Buifurcation and Degradation in Geomaterials (IWBDG 2011). Springer Series in Geomechanics and Geoengineering - ADVANCES IN BIFURCATION AND DEGRADATION IN GEOMATERIALS:249-254.
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2011. Onset of Immersed Granular Avalanches by DEM-LBM Approach. 9th International Workshop on Buifurcation and Degradation in Geomaterials (IWBDG 2011). Springer Series in Geomechanics and Geoengineering - ADVANCES IN BIFURCATION AND DEGRADATION IN GEOMATERIALS:109-115.
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2011. Reply to “Comment on ‘Determination of the bulk melting temperature of nickel using Monte Carlo simulations: Inaccuracy of extrapolation from cluster melting temperatures' ”. Physical Review B. 84(9):ArticleNumber:096103.
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2011. Springer Series in Geomechanics and Geoengineering Multiscale and Multiphysics Processes in Geomechanics SIMULATION OF HYDRATION AND ELASTIC PROPERTIES OF MONTMORILLONITE USING MOLECULAR DYNAMICS. International Workshop on Multiscale and Multiphysics Processes in Geomechanics. Springer Series in Geomechanics and Geoengineering:105-108.
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2011. Springer Series in Geomechanics and Geoengineering Multiscale and Multiphysics Processes in Geomechanics SIMULATION OF HYDRATION AND ELASTIC PROPERTIES OF MONTMORILLONITE USING MOLECULAR DYNAMICS. International Workshop on Multiscale and Multiphysics Processes in Geomechanics. Springer Series in Geomechanics and Geoengineering:105-108.
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2011. Stress fields in granular solids: Effect of composition. Symposium on Science and Technology of Powders and Sintered Materials (STPMF 2009). POWDER TECHNOLOGY:568-573.
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2011. Tight binding within the fourth moment approximation: Efficient implementation and application to liquid Ni droplet diffusion on graphene. Physical Review B. 84(8):ArticleNumber:085455.
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2011. Collapse Dynamics and Runout of Dense Granular Materials in a Fluid. Physical Review Letters. 109(18):ArticleNumber:188001.
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2012. Comparison of computational water models for simulation of calcium-silicate-hydrate. Computational Materials Science. 53(1):234-240.
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2012. 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.
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2012. Enhanced CO2 solubility in hybrid adsorbents: optimization of solid support and solvent properties for CO2 capture. The Journal of Physical Chemistry C. 116(5):3600–3607.
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2012. Enhanced CO2 solubility in hybrid adsorbents: optimization of solid support and solvent properties for CO2 capture. The Journal of Physical Chemistry C. 116(5):3600–3607.
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2012. Enhanced CO2 solubility in hybrid adsorbents: optimization of solid support and solvent properties for CO2 capture. The Journal of Physical Chemistry C. 116(5):3600–3607.
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2012. Evidence on the Dual Nature of Aluminum in the Calcium-Silicate-Hydrates Based on Atomistic Simulations. Journal of the American Ceramic Society. 95(3):1128–1137.
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2012. Hydration of calcium oxide surface predicted by reactive force field molecular dynamics. Langmuir. 28(9):4187–4197.
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2012. Microscopic Origins of Shear Strength in Packings Composed of Elongated Particles. 9th International Workshop on Bifurcation and Degradation in Geomaterials (IWBDG 2011). Springer Series in Geomechanics and Geoengineering - ADVANCES IN BIFURCATION AND DEGRADATION IN GEOMATERIALS:21-27.
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2012.