Publications
Mechanism of H2O Insertion and Chemical Bond Formation in AlPO 4-54·x H2O at High Pressure. Journal of the American Chemical Society. 137(2):584-587.
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2015. Mechanism of strength reduction along the graphenization pathway. Science Advances. 1(10):e1501009-e1501009.
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2015. The Meso-Scale Texture of Cement Hydrate Gels: Out-of-Equilibrium Evolution and Thermodynamic Driving. 10th International Conference on Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete and Concrete Structures CONCREEP 10. CONCREEP 10: MECHANICS AND PHYSICS OF CREEP, SHRINKAGE, AND DURABILITY OF CONCRETE AND CONCRETE STRUCTURES:34-38.
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2015. 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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2015. Modeling force transmission in granular materials. Comptes Rendus Physique. 16(1):3-9.
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2015. Magnetic interactions in 3d metal chains on Cu2X/Cu(001) (X = N, O): Comparison with corresponding unsupported chains. Physical Review B. 90:195423.
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2014. Mesoscale properties of clay aggregates from potential of mean force representation of interactions between nanoplatelets. Journal of Chemical Physics . 140(15):ArticleNumber:154309.
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2014. Mesoscale simulation of clay aggregate formation and mechanical properties. 3rd International Symposium on Geomechanics from Micro to Macro. Geomechanics from Micro to Macro: Granular Matter(3):539-544.
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2014. 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. Modelling soft-particle materials. 3rd International Symposium on Geomechanics from Micro to Macro. Geomechanics from Micro to Macro:43-48.
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2014. Molecular dynamics simulation of amorphous HfO 2 for resistive RAM applications. Modelling and Simulation in Materials Science and Engineering. 22(6):ArticleNumber065006.
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2014. Molecular dynamics simulations of the formation of 1D spin-valves from stretched Au-Co and Pt-Co nanowires. J. Phys.: Condens. Matter. 26(Special issue: Break junctions)
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2014. .
2014. 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. Micromechanical analysis of second order work in granular media. Granular Matter. 15(2):221-235.
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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. Molecular simulations of supercritical fluid permeation through disordered microporous carbons. Langmuir. 29(32):9985–9990.
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2013. Mechanistic Approach to Pavement-Vehicle Interaction and Its Impact on Life-Cycle Assessment. Transportation Research Record: Journal of the Transportation Research Board. (2306):171-179.
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2012. 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. 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. Multitechnique Investigation of Extruded Clay Brick Microstructure. Journal of the American Ceramic Society. 94(9):3012-3022.
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2011.