84 citations · 267 across the 14 of their papers we have counts for
16 papers
Water-methanol mixture confined in a graphene slit-pore
Roger Bellido-Peralta, Fabio Leoni, Carles Calero +1
Efficient and sustainable techniques for separating water-methanol mixtures are in high demand in the industry. Recent studies have revealed that membranes and 2D materials could a…
Size-pore-dependent methanol sequestration from water-methanol mixtures by an embedded graphene slit
Roger Bellido-Peralta, Fabio Leoni, Carles Calero +1
The separation of liquid mixture components is relevant to many applications -- ranging from water purification to biofuel production -- and is a growing concern related to the UN…
Nanoconfined fluids: Uniqueness of water compared to other liquids
Fabio Leoni, Carles Calero, Giancarlo Franzese
Nanoconfinement can drastically change the behavior of liquids, puzzling us with counterintuitive properties. Moreover, it is relevant in applications, including decontamination an…
Water under extreme confinement in graphene: Oscillatory dynamics, structure, and hydration pressure explained as a function of the confinement width
Carles Calero, Giancarlo Franzese
Graphene nanochannels are relevant for their possible applications, as in water purification, and for the challenge of understanding how they change the properties of confined liqu…
Re-defining the concept of hydration water in water under soft confinement
Fausto Martelli, Carles Calero, Giancarlo Fanzese
Water shapes and defines the properties of biological systems. Therefore, understanding the nature of the mutual interaction between water and biological systems is of primary impo…
Propulsion and energetics of a minimal magnetic microswimmer
Carles Calero, José García-Torres, Antonio Ortiz-Ambriz +3
In this manuscript we describe the realization of a minimal hybrid microswimmer, composed of a ferromagnetic nanorod and a paramagnetic microsphere. The unbounded pair is propelled…
Collective Transport of Magnetic Microparticles at a Fluid Interface through Dynamic Self-Assembled Lattices
Fernando Martínez-Pedrero, Francisco Ortega, Ramón G. Rubio +1
The transport of motile entities across modulated energy landscapes plays an important role in a range of phenomena in biology, colloidal science and solid-state physics. Here, an…
Self-thermophoresis at the nanoscale using light induced solvation dynamics
Carles Calero, Edwin L. Sibert, Rossend Rey
Downsizing microswimmers to the nanoscale, and using light as an externally controlled fuel, are two important goals within the field of active matter. Here we demonstrate using al…
Direct Measurement of Lighthill's Energetic Efficiency of a Minimal Magnetic Microswimmer
Carles Calero, José García-Torres, Antonio Ortiz-Ambriz +3
The realization of artificial microscopic swimmers able to propel in viscous fluids is an emergent research field of fundamental interest and vast technological applications. For c…
Water between membranes: Structure and Dynamics
Sotiris Samatas, Carles Calero, Fausto Martelli +1
An accurate description of the structure and dynamics of interfacial water is essential for phospholipid membranes, since it determines their function and their interaction with ot…
Large Slowdown of Water Dynamics at Stacked Phospholipid Membranes for Increasing Hydration Level: All-Atoms Molecular Dynamics
Carles Calero, H. Eugene Stanley, Giancarlo Franzese
Water hydrating phospholipid membranes determine their stability and function, as well as their interaction with other molecules. In this article we study, using all-atom molecular…
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…
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…