Publications
Thermodynamics of Water Confined in Porous Calcium-Silicate-Hydrates. Langmuir. 28(31):11422-11432.
.
2012. Bottom-up model of adsorption and transport in multiscale porous media.. Phys Rev E Stat Nonlin Soft Matter Phys. 91(3):ArticleNumber:032133.
.
2015. Molecular simulations of supercritical fluid permeation through disordered microporous carbons. Langmuir. 29(32):9985–9990.
.
2013. Shear strength and microstructure of 3D assemblies of platy particles. 7th International Conference on Micromechanics of Granular Media (Powders and Grains). Book Series: AIP Conference Proceedings POWDERS AND GRAINS 2013:519-522.
.
2013. Particle alignment and clustering in sheared granular materials composed of platy particles. The European Physical Journal E. 37(11):ArticleNumber:116.
.
2014. Quasistatic rheology and microstructural description of sheared granular materials composed of platy particles. Physical Review E. 87(3):ArticleNumber:032206.
.
2013. Rheology and Micromechanical Analysis of Granular Media Composed of Platy Particles: A Step Toward the DEM Simulation of Clayey Soils. 15th Pan-American Conference on Soil Mechanics and Geotechnical Engineering (PCSMGE) / 8th South American Congress on Rock Mechanics (SCRM). FROM FUNDAMENTALS TO APPLICATIONS IN GEOTECHNICS :1357-1364.
.
2015. Optimized molecular reconstruction procedure combining hybrid reverse Monte Carlo and molecular dynamics. The Journal of Chemical Physics. 142(11):ArticleNumber:114112.
.
2015. Realistic molecular model of kerogen’s nanostructure. Nature Materials.
.
2016. Computing the linear viscoelastic properties of soft gels using an optimally windowed chirp protocol. Journal of Rheology. 62(4):1037-1050.
.
2018. Poromechanics of microporous media. Journal of the Mechanics and Physics of Solids. 60(4):606–622.
.
2012. Adsorption-induced deformation of microporous materials: coal swelling induced by co2–ch4 competitive adsorption. Langmuir. 28:2659–2670.
.
2011. Capturing material toughness by molecular simulation: accounting for large yielding effects and limits. International Journal of Fracture. 194(2):149-167.
.
2015. Molecular dynamics simulation of amorphous HfO 2 for resistive RAM applications. Modelling and Simulation in Materials Science and Engineering. 22(6):ArticleNumber065006.
.
2014. Environmental scanning electron microscopy (ESEM) and nanoindentation investigation of the crack tip process zone in marble. Acta Geotechnica. 8(3):223-245.
.
2013. Structure-property relationships of water adsorption in metal-organic frameworks. New Journal of Chemistry. 38:3102-3111.
.
2014. Water adsorption in MOFs: fundamentals and applications. Chemical Society Reviews. 43:5594-5617.
.
2014. Three-dimensional bonded-cell model for grain fragmentation. Computational Particle Mechanics. 4(4):441-450.
.
2017. Elastic Properties of Swelling Clay Particles at Finite Temperature upon Hydration. Journal of Physical Chemistry C. 118(17):8933-8943.
.
2014. Effect of Water on Elastic and Creep Properties of Self-Standing Clay Films. Langmuir. 32(5):1370-1379.
.
2016. ESEM Study of the Humidity-Induced Swelling of Clay Film. Langmuir. 29(41):12823–12833.
.
2013. Structure and Dynamics of an Electrolyte Confined in Charged Nanopores. The Journal of Physical Chemistry C. 118(10):5061–5072.
.
2014. Particle shape dependence in 2D granular media. EPL (Europhysics Letters). 98(4):ArticleNumber:44008.
.
2012. First-principles molecular dynamics study of glassy GeS2: Atomic structure and bonding properties. Physical Review B. 88
.
2013. Bottom-up model for understanding the effects of wheat endosperm microstructure on its mechanical strength. Journal of Food Engineering. 190:40-47.
.
2016.