Background and activities
Scientific, academic and artistic work
A selection of recent journal publications, artistic productions, books, including book and report excerpts. See all publications in the database
- (2017) Molecular Dynamics Simulations of Metal / Molten Alkali Carbonate Interfaces. Journal of Physical Chemistry C. vol. 121 (33).
- (2017) Entropy facilitated active transport. Journal of Chemical Physics. vol. 146 (18).
- (2017) Ensemble distribution for immiscible two-phase flow in porous media. Physical review. E. vol. 95:023116 (2).
- (2017) A Monte Carlo Algorithm for Immiscible Two-Phase Flow in Porous Media. Transport in Porous Media. vol. 116 (2).
- (2017) Size and shape effects on the thermodynamic properties of nanoscale volumes of water. Physical Chemistry, Chemical Physics - PCCP. vol. 19 (13).
- (2017) Thermodynamic Properties of Hydrogen Dissociation Reaction from the Small System Method and Reactive Force Field ReaxFF. Chemical Physics Letters. vol. 672.
- (2016) Molecular alignment in molecular fluids induced by coupling between density and thermal gradients. Physical Chemistry, Chemical Physics - PCCP. vol. 18 (17).
- (2016) Computing properties of the hydrogen dissociation reaction in and away from equilibrium. Molecular Simulation. vol. 42 (16).
- (2016) Heat and mass transfer in reacting mixtures: Molecular dynamics and kinetic theory approaches. AIP Conference Proceedings. vol. 1786 (1).
- (2016) Entropy production in mesoscopic stochastic thermodynamics: Nonequilibrium kinetic cycles driven by chemical potentials, temperatures, and mechanical forces. Journal of Physics: Condensed Matter. vol. 28 (15).
- (2016) Heat transport through a solid-solid junction: the interface as an autonomous thermodynamic system. Physical Chemistry, Chemical Physics - PCCP. vol. 18 (20).
- (2016) Coherent description of transport across the water interface: From nanodroplets to climate models. Physical review. E. vol. 39.
- (2015) Diffusion of Heat and Mass in a Chemically Reacting Mixture away from Equilibrium. Journal of Physical Chemistry C. vol. 119 (23).
- (2015) Calculation of the chemical potential and the activity coefficient of two layers of CO2 adsorbed on a graphite surface. Physical Chemistry, Chemical Physics - PCCP. vol. 17 (2).
- (2015) A procedure to find thermodynamic equilibrium constants for CO2 and CH4 adsorption on activated carbon. Physical Chemistry, Chemical Physics - PCCP. vol. 17 (12).
- (2015) Simulation of Pore Width and Pore Charge Effects on Selectivities of CO2 vs. H2 from a Syngas-like Mixture in Carbon Mesopores. Energy Procedia. vol. 64.
- (2015) Communication: Tolman length and rigidity constants of water and their role in nucleation. Journal of Chemical Physics. vol. 142 (17).
- (2015) Tolman length and rigidity constants of the Lennard-Jones fluid. Journal of Chemical Physics. vol. 142 (6).
- (2015) Influence of Curvature on the Transfer Coefficients for Evaporation and Condensation of Lennard-Jones Fluid from Square-Gradient Theory and Nonequilibrium Molecular Dynamics. Journal of Physical Chemistry C. vol. 119 (15).
- (2015) Heat and mass transfer across interfaces in complex nanogeometries. Physical Review Letters. vol. 114 (6).