Publications
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The Potential of Mean Force concept for bridging (length and time) scales in the modeling of complex porous materials. EPJ Web of Conferences. 140:ArticleNumber01009.
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2017. Predicting Adsorption on Bare and Modified Silica Surfaces. The Journal of Physical Chemistry C. 119(11):6009-6017.
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2015. Pressure effects in confined nanophases. Molecular Simulation. 40(7-9):721-730.
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2014. Probing Interconnectivity in Hierarchical Microporous/Mesoporous Materials Using Adsorption and Nuclear Magnetic Resonance Diffusion. The Journal of Physical Chemistry C. 120(3):1562-1569.
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2016. Probing the microporosity of low-k organosilica films: MP and t-plot methods applied to ellipsometric porosimetry data. Microporous and Mesoporous Materials. 217:119-124.
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2015. Production of H 2 by water radiolysis in cement paste under electron irradiation: A joint experimental and theoretical study. Cement and Concrete Research. 100:110-118.
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2017. Quantifying plasticity-independent creep compliance and relaxation of viscoelastoplastic materials under contact loading. Journal of Materials Research. 27(01):302-312.
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2012. Realistic molecular model of kerogen’s nanostructure. Nature Materials.
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2016. Role of Interfaces in Elasticity and Failure of Clay–Organic Nanocomposites: Toughening upon Interface Weakening? Langmuir. 33(42):11457-11466.
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2017. Role of Silver Nanoparticles in Enhanced Xenon Adsorption Using Silver-Loaded Zeolites. Journal of Physical Chemistry C . 118(43):25032-25040.
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2014. Role of temperature in the formation and growth of gold monoatomic chains: A molecular dynamics study. Physical Review B. 88:235438.
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2013. Settlement statistics of a granular layer composed of polyhedral particles. 7th International Conference on Micromechanics of Granular Media (Powders and Grains). Book Series: AIP Conference Proceedings POWDERS AND GRAINS 2013:333-336.
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2013. Shear strength and microstructure of 3D assemblies of platy particles. 7th International Conference on Micromechanics of Granular Media (Powders and Grains). Book Series: AIP Conference Proceedings POWDERS AND GRAINS 2013:519-522.
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2013. Shear strength, force distributions and friction mobilization in sheared packings composed of angular particles. 7th International Conference on Micromechanics of Granular Media (Powders and Grains). Book Series: AIP Conference Proceedings POWDERS AND GRAINS 2013:511-514.
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2013. Solubility of Gases in Water Confined in Nanoporous Materials: ZSM-5, MCM-41, and MIL-100. The Journal of Physical Chemistry C. 119(37):21547-21554.
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2015. Solvated calcium ions in charged silica nanopores. The Journal of Chemical Physics. 137(6):ArticleNumber:064706.
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2012. Springer Series in Geomechanics and GeoengineeringAdvances in Laboratory Testing and Modelling of Soils and Shales (ATMSS)Measurement of Mechanical Properties of Thin Clay Films and Comparison with Molecular Simulations. Springer Series in Geomechanics and Geoengineering. :78-84.
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2017. .
2015. 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 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 Dynamics of Ionic Liquids Confined in Amorphous Porous Chalcogenides. Langmuir. 31(24):6742-6751.
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2015. Structure and transport of aqueous electrolytes: From simple halides to radionuclide ions. Journal of Chemical Physics. 141:124508.
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2014. Structure-property relationships of water adsorption in metal-organic frameworks. New Journal of Chemistry. 38:3102-3111.
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2014. Structure-property relationships of water adsorption in metal-organic frameworks. New Journal of Chemistry. 38:3102-3111.
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2014. Subcontinuum mass transport of condensed hydrocarbons in nanoporous media.. Nat Commun. 6:ArticleNumber:6949.
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2015.