Publications
Adsorption-based characterization of hierarchical metal-organic frameworks. Adsorptio-Journal of the International Adsorption Society. 20(2):349-357.
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2013. First-principles molecular dynamics study of glassy GeS2: Atomic structure and bonding properties. Physical Review B. 88
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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. Large pressure enhancements in confined phases: effect of surface chemistry and roughness. J. Chem. Phys.. 139
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2013. Mesoscopic Monte Carlo simulations of microstructure and conductivity of zirconia-based ceramics. J. Eur. Ceram. Soc.. 61(13):5018-5025.
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2013. Molecular intermittent dynamics of interfacial water: probing adsorption and bulk confinement. Soft Matter. 9(36):8654-8663.
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2013. On the molecular origin of high-pressure effects in nanoconfinement: The role of surface chemistry and roughness. Journal of Chemical Physics. 139
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2013. Molecular simulation of adsorption and transport in hierarchical porous materials. Langmuir. 29(25):7864–7875.
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2013. Water self-diffusion at the surface of silica glasses: effect of hydrophilic to hydrophobic transition. Molecular Physics. 111(22-23):3410-3417.
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2013. Solvated calcium ions in charged silica nanopores. The Journal of Chemical Physics. 137(6):ArticleNumber:064706.
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2012. Thermodynamics of Water Confined in Porous Calcium-Silicate-Hydrates. Langmuir. 28(31):11422-11432.
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2012.