58 citations · 157 across the 8 of their papers we have counts for
9 papers
Comment on Nanoscale Wetting of Crystalline Cellulose
David Malaspina, Jordi Faraudo
In a recent publication, Trentin et al employed Molecular Dynamics (MD) simulations for the theoretical study of the wetting of the different polymorphs of cellulose by water, usin…
On-the-fly coarse-graining methodology for the simulation of chain formation of superparamagnetic colloids in strong magnetic fields
Jordi S. Andreu, Carles Calero, Juan Camacho +1
The aim of this work is the description of the chain formation phenomena observed in colloidal suspensions of superparamagnetic nanoparticles under high magnetic fields. We propose…
Competition between hydrogen bonding and electric field in single-file transport of water in carbon nanotubes
Luis Figueras, Jordi Faraudo
Recent studies have shown the possibility of water transport across carbon nanotubes, even in the case of nanotubes with small diameter (0.822 nm). In this case, water shows subcon…
A First Passage Time Analysis of Atomic-Resolution Simulations of the Ionic Transport in a Bacterial Porin
Carles Calero, Jordi Faraudo, Marcel Aguilella-Arzo
We have studied the dynamics of chloride and potassium ions in the interior of the OmpF porin under the influence of an external electric field. From the results of extensive all-a…
Ionic partition and transport in multi-ionic channels: A Molecular Dynamics Simulation study of the OmpF bacterial porin
Jordi Faraudo, Carles Calero, Marcel Aguilella-Arzo
We performed all-atom molecular dynamics simulations studying the partition of ions and the ionic current through the bacterial porin OmpF and two selected mutants. The study is mo…
Molecular Dynamics simulations of concentrated aqueous electrolyte solutions
Carles Calero, Jordi Faraudo, Marcel Aguilella-Arzo
Transport properties of concentrated electrolytes have been analyzed using classical molecular dynamics simulations with the algorithms and parameters typical of simulations descri…
Ionic correlations at the nanoscale: inversion of selectivity in a bio-nanochannel
Marcel Aguilella-Arzo, Carles Calero, Jordi Faraudo
Here we show, combining a simulation and theoretical study, that electrostatic correlations typical of multivalent ions can reverse the selectivity of a biological nanochannel. Our…
The many origins of charge inversion in electrolyte solutions: effects of discrete interfacial charges
J. Faraudo, A. Travesset
We show that charge inversion, i.e. interfacial charges attracting counterions in excess of their own nominal charge, is a general effect that takes place in most charged systems n…
Nonequilibrium corrections in the pressure tensor due to an energy flux
Raquel Dominguez-Cascante, Jordi Faraudo
The physical interpretation of the nonequilibrium corrections in the pressure tensor for radiation submitted to an energy flux obtained in some previous works is revisited. Such pr…