Publications
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Organic–Clay Interfacial Chemical Bonds Probed by ab Initio Calculations. The Journal of Physical Chemistry C. 119(12):6511-6517.
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2015. Order and disorder in calcium–silicate–hydrate. The Journal of Chemical Physics. 140(21):ArticleNumber:214503.
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2014. Optimized molecular reconstruction procedure combining hybrid reverse Monte Carlo and molecular dynamics. The Journal of Chemical Physics. 142(11):ArticleNumber:114112.
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2015. Onset of Immersed Granular Avalanches by DEM-LBM Approach. 9th International Workshop on Buifurcation and Degradation in Geomaterials (IWBDG 2011). Springer Series in Geomechanics and Geoengineering - ADVANCES IN BIFURCATION AND DEGRADATION IN GEOMATERIALS:109-115.
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2011. Numerical insight into the micromechanics of jet erosion of a cohesive granular material. EPJ Web of Conferences. 140:ArticleNumber15017.
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2017. Nanostructure and nanomechanics of cement: polydisperse colloidal packing. Physical review letters. 109(15):ArticleNumber:155503.
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2012. Nanoscale Structure of Cement: Viewpoint of Rigidity Theory. Journal of Physical Chemistry C. 118(23):12485-12493.
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2014. Nano-scale mechanics of colloidal C-S-H gels. Soft Matter. 10(3):491-499.
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2014. Nanoscale Elastic Properties of Montmorillonite upon Water Adsorption. Langmuir. 28(49):16855–16863.
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2012. Nanoporous chalcogenides for adsorption and gas separation. Physical Chemistry Chemical Physics. 18(19):13449-13458.
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2016. Nano-granular texture of cement hydrates. EPJ Web of Conferences. 140:ArticleNumber15027.
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2017. Nanofluidic Osmotic Diodes: Theory and Molecular Dynamics Simulations. Physical Review Letters. 111:244501.
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2013. Multiscale poromechanics of wet cement paste. Proceedings of the National Academy of Sciences. 2:201901160.
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2019. Multiscale modeling for bioresources and bioproducts. Innovative Food Science & Emerging Technologies. 46( Special Issue: SI ):41-53.
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2018. Molecular simulations of supercritical fluid permeation through disordered microporous carbons. Langmuir. 29(32):9985–9990.
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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 Modeling and Adsorption Properties of Ordered Silica-Templated CMK Mesoporous Carbons. Langmuir. 33(9):2109-2121.
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2017. Molecular Modeling and Adsorption Properties of Ordered Silica-Templated CMK Mesoporous Carbons. Langmuir. 33(9):2109-2121.
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2017. Molecular intermittent dynamics of interfacial water: probing adsorption and bulk confinement. Soft Matter. 9(36):8654-8663.
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2013. Modelling cement at fundamental scales: From atoms to engineering strength and durability. Euro-C Conference. COMPUTATIONAL MODELLING OF CONCRETE STRUCTURES, VOL 1:139-148.
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2014. Modeling Porous Granular Aggregates. 9th International Workshop on Buifurcation and Degradation in Geomaterials (IWBDG 2011). Springer Series in Geomechanics and Geoengineering - ADVANCES IN BIFURCATION AND DEGRADATION IN GEOMATERIALS:249-254.
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2011. Model representations of kerogen structures: An insight from density functional theory calculations and spectroscopic measurements. Scientific Reports. 7(1):ArticleNumber:7068.
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2017. A minimal power model for human running performance. PLOS ONE. 13(11):e0206645.
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2018. Microscopic Origins of Shear Strength in Packings Composed of Elongated Particles. 9th International Workshop on Bifurcation and Degradation in Geomaterials (IWBDG 2011). Springer Series in Geomechanics and Geoengineering - ADVANCES IN BIFURCATION AND DEGRADATION IN GEOMATERIALS:21-27.
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2012. Micromechanical analysis of the surface erosion of a cohesive soil by means of a coupled LBM-DEM model. IV International Conference on Particle-based Methods (PARTICLES 2015). PARTICLE-BASED METHODS IV-FUNDAMENTALS AND APPLICATIONS:519-528.
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