Publications
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 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. Enhanced H-2 Uptake of n-Alkanes Confined in Mesoporous Materials. Journal of Physical Chemistry C . 118(20):10720-10727.
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2014. Erratum to “Static states of cohesive granular media”. Journal of Mechanical Science and Technology. 28(10):4345-4345.
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2014. Erratum to “Static states of cohesive granular media”. Journal of Mechanical Science and Technology. 28(10):4345-4345.
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2014. ESEM Study of the Humidity-Induced Swelling of Clay Film. Langmuir. 29(41):12823–12833.
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2013. 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. Evolution of organo-clay composites with respect to thermal maturity in type II organic-rich source rocks. Geochimica et Cosmochimica Acta. 195:68-83.
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2016. First-principles prediction of kink-pair activation enthalpy on screw dislocations in bcc transition metals: V, Nb, Ta, Mo, W, and Fe. Physical Review B. 91(9):ArticleNumber094105.
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2015. Fracture toughness anomalies: Viewpoint of topological constraint theory. Acta Materialia. 121:234-239.
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2016. Fracture toughness of calcium–silicate–hydrate from molecular dynamics simulations. Journal of Non-Crystalline Solids. 419:58-64.
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2015. Free Volume Theory of Hydrocarbon Mixture Transport in Nanoporous Materials. The Journal of Physical Chemistry Letters. 7(19):3712-3717.
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2016. From cellulose to kerogen: molecular simulation of a geological process. Chemical Science. 8(12):8325-8335.
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2017. 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. Griffith’s postulate: Grand Canonical Monte Carlo approach for fracture mechanics of solids. Engineering Fracture Mechanics. 199:544-554.
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2018. Hydration of calcium oxide surface predicted by reactive force field molecular dynamics. Langmuir. 28(9):4187–4197.
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2012. 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. Impact of Nanoporosity on Hydrocarbon Transport in Shales’ Organic Matter. Nano Letters. 18(2):832-837.
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2018. Improving the practicality and safety of artificial corneas: Pre-assembly and gamma-rays sterilization of the Boston Keratoprosthesis. The Ocular Surface. 16(3):322-330.
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2018. Inhomogeneity in Cement Hydrates: Linking Local Packing to Local Pressure. Journal of Nanomechanics and Micromechanics. 7(2):ArticleNumber:UNSP04017003.
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2017. Inorganic, Hybridized and Living Macrocellular Foams: “Out of the Box” Heterogeneous Catalysis. The Chemical Record. 18(7-8):776-787.
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2017. An interdisciplinary approach towards improved understanding of soil deformation during compaction. Soil and Tillage Research. 128:61-80.
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