Publications
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Accurate classical short-range forces for the study of collision cascades in Fe–Ni–Cr. Computer Physics Communications. 219:11-19.
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2017. Activated desorption at heterogeneous interfaces and long-time kinetics of hydrocarbon recovery from nanoporous media. Nature Communications. 7:ArticleNumber11890.
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2016. Adsorption and Dynamics in Hierarchical Metal-Organic Frameworks. Journal of Physical Chemistry C. 118(14):7423-7433.
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2014. Adsorption in heterogeneous porous media: Hierarchical and composite solids. Microporous and Mesoporous Materials. 229:145-154.
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2016. 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 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 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 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. Adsorption-based characterization of hierarchical metal–organic frameworks. Adsorption. 20:349-357.
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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. Advances in design and modeling of porous materials. The European Physical Journal Special Topics. 224(9):1653-1653.
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2015. 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. AIP Conference ProceedingsTumbling sandpiles in a fluid. 7th International Conference on Micromechanics of Granular Media (Powders and Grains). Book Series: AIP Conference Proceedings POWDERS AND GRAINS 2013:662-665.
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2013. An artificial primitive mimic of the Gramicidin-A channel. Nature Communications. 5
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2014. An artificial primitive mimic of the Gramicidin-A channel. Nature Communications. 5
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2014. Assessing Polarizability Models for the Simulation of Low-Frequency Raman Spectra of Benzene. The Journal of Physical Chemistry B. 119(29):9345-9358.
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2015. Atomic-scale modelling of elastic and failure properties of clays. Molecular Physics. 112(9-10):1294-1305.
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2014. An atomistic modelling of the porosity impact on UO2 matrix macroscopic properties. Journal of Nuclear Materials. 415(2):210-216.
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2011. A benchmark for particle shape dependence. 7th International Conference on Micromechanics of Granular Media (Powders and Grains). Book Series: AIP Conference Proceedings POWDERS AND GRAINS 2013:883-886.
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2013. A benchmark for particle shape dependence. 7th International Conference on Micromechanics of Granular Media (Powders and Grains). Book Series: AIP Conference Proceedings POWDERS AND GRAINS 2013:883-886.
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2013. A benchmark for particle shape dependence. 7th International Conference on Micromechanics of Granular Media (Powders and Grains). Book Series: AIP Conference Proceedings POWDERS AND GRAINS 2013:883-886.
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2013. Bottom-up model for understanding the effects of wheat endosperm microstructure on its mechanical strength. Journal of Food Engineering. 190:40-47.
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2016. Bottom-up model of adsorption and transport in multiscale porous media.. Phys Rev E Stat Nonlin Soft Matter Phys. 91(3):ArticleNumber:032133.
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