Publications
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. Adsorption, intrusion and freezing in porous silica: the view from the nanoscale. Chemical Society Reviews. 42(9):4141-4171.
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2013. Adsorption of carbon dioxide, methane, and their mixtures in porous carbons: effect of surface chemistry, water content, and pore disorder. Langmuir. 29(10):3328–3338.
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2013. Adsorption of Volatile Organic Compounds in pure silica CHA, *BEA, MFI and STT-type zeolites. Microp. Mesop. Mater.. 173:147–154.
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2013. 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. Adsorption and Dynamics in Hierarchical Metal-Organic Frameworks. Journal of Physical Chemistry C. 118(14):7423-7433.
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2014. Adsorption of carbon dioxide-methane mixtures in porous carbons: effect of surface chemistry. Adsorption-Journal fo the International Adsorption Society. 20:453-463.
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2014. Adsorption-based characterization of hierarchical metal–organic frameworks. Adsorption. 20:349-357.
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2014. An artificial primitive mimic of the Gramicidin-A channel. Nature Communications. 5
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2014. Atomic-scale modelling of elastic and failure properties of clays. Molecular Physics. 112(9-10):1294-1305.
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2014. Effect of Gas Adsorption on Acoustic Wave Propagation in MFI Zeolite Membrane Materials: Experiment and Molecular Simulation. Langmuir. 30(34):10336-10343.
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2014. Effect of temperature on adsorption of mixtures in porous materials. Molecular Simulation. 40(1-3 Special Issue: SI):45-51.
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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. Ionic liquid confined in silica nanopores: molecular dynamics in the isobaric-isothermal ensemble. Molecular Physics. 112:1350-1361.
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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. Pressure effects in confined nanophases. Molecular Simulation. 40(7-9):721-730.
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2014.