Publications
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 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. Adsorption of Aromatic Hydrocarbon Molecules at the Surface of Ice, As Seen by Grand Canonical Monte Carlo Simulation. The Journal of Physical Chemistry C. 117(13):6719–6729.
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2013. AIP Conference Proceedings A multiscale description of failure in granular materials. 7th International Conference on Micromechanics of Granular Media (Powders and Grains). Book Series: AIP Conference Proceedings POWDERS AND GRAINS 2013:585-588.
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2013. Gas uptake in solvents confined in mesopores: adsorption versus enhanced solubility. The Journal of Physical Chemistry Letters. 4(14):2274–2278.
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2013. GRANULAR SLUMPING IN A FLUID : FOCUS ON RUNOUT DISTANCES. 3rd International Conference on Particle-based Methods. PARTICLE-BASED METHODS III: FUNDAMENTALS AND APPLICATIONS:115-123.
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2013. Micromechanical analysis of second order work in granular media. Granular Matter. 15(2):221-235.
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2013. Reactive elastomeric composites: When rubber meets cement. Composites Science and Technology. 75:77-83.
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2013. Atomic-scale modelling of elastic and failure properties of clays. Molecular Physics. 112(9-10):1294-1305.
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2014. 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. .
2014. Poroelastic Theory Applied to the Adsorption-Induced Deformation of Vitreous Silica. The Journal of Physical Chemistry B. 118(49):14519-14525.
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2014. Some micromechanical aspects of failure in granular materials based on second-order work. Comptes Rendus Mécanique. 342(3):174-188.
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2014. Some micromechanical aspects of failure in granular materials based on second-order work. Comptes Rendus Mécanique. 342(3):174-188.
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2014. Structure and Dynamics of an Electrolyte Confined in Charged Nanopores. The Journal of Physical Chemistry C. 118(10):5061–5072.
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2014. Structure and transport of aqueous electrolytes: From simple halides to radionuclide ions. Journal of Chemical Physics. 141:124508.
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2014. Surface Chemistry and Atomic-Scale Reconstruction of Kerogen-Silica Composites. The Journal of Physical Chemistry C. 118(5):2429-2438.
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2014. Advances in design and modeling of porous materials. The European Physical Journal Special Topics. 224(9):1653-1653.
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2015. Capturing material toughness by molecular simulation: accounting for large yielding effects and limits. International Journal of Fracture. 194(2):149-167.
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2015. Creep of Bulk C-S-H: Insights from Molecular Dynamics Simulations. 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 :511-516.
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2015. Creep of Clay: Numerical Results at the Scale of a Layer and Experimental Results at the Scale of Thin Self-Standing Films. 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 :531-536.
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2015. C-S-H across Length Scales: From Nano to Micron. 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 :39-48.
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2015. Experimental chemo-mechanics of early-age fracture properties of cement paste. Cement and Concrete Research. 75:42-52.
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2015. Fractal analysis of surface roughness of montmorillonite clay self-supported films: Effects of exchanged cations and of mechanical tensile stress. Colloids and Surfaces A: Physicochemical and Engineering Aspects. 486:38-44.
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2015. Fracture toughness of calcium–silicate–hydrate from molecular dynamics simulations. Journal of Non-Crystalline Solids. 419:58-64.
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2015.