38 citations · 300 across the 22 of their papers we have counts for
8 papers · 1 filter
Multiscale Modeling of Ion Transport in Nanopores: Fitting Implicit-Water Radial Diffusion Profiles to Explicit-Water Molecular Dynamics
Mónika Valiskó, Salman Shabbir, Eszter Molnárné Lakics +2
We develop a multiscale approach for incorporating molecular-scale transport information into computationally efficient models of ion transport through nanopores. A radially varyin…
Scaling for rectification of bipolar nanopores as a function of a modified Dukhin number: the case of 1:1 electrolytes
Dávid Fertig, Zsófia Sarkadi, Mónika Valiskó +1
The scaling behavior for the rectification of bipolar nanopores is studied using the Nernst-Planck equation coupled to the Local Equilibrium Monte Carlo method. The bipolar nanopor…
From nanotubes to nanoholes: scaling of selectivity in uniformly charged nanopores through the Dukhin number for 1:1 electrolytes
Zsófia Sarkadi, Dávid Fertig, Zoltán Ható +2
Scaling of the behavior of a nanodevice means that the device function (selectivity) is a unique smooth and monotonic function of a scaling parameter that is an appropriate combina…
Scaling Behavior of Bipolar Nanopore Rectification with Multivalent Ions
Dávid Fertig, Bartłomiej Matejczyk, Mónika Valiskó +2
We present a scaling behavior of a rectifying bipolar nanopore as a function of the parameter , where is the radius of the por…
Multiscale analysis of the effect of surface charge pattern on a nanopore's rectification and selectivity properties: from all-atom model to Poisson-Nernst-Planck
Mónika Valiskó, Bartłomiej Matejczyk, Zoltán Ható +5
We report a multiscale modeling study for charged cylindrical nanopores using three modeling levels that include (1) an all-atom explicit-water model studied with molecular dynamic…
Controlling ionic current through a nanopore by tuning pH: a Local Equilibrium Monte Carlo study
Dávid Fertig, Mónika Valiskó, Dezső Boda
The purpose of this work is to create a model of a nanofluidic transistor which is able to mimic the effects of pH on nanopore conductance. The pH of the electrolyte is an experime…
Controlling ion transport through nanopores: modeling transistor behavior
Eszter Mádai, Bartłomiej Matejczyk, András Dallos +2
We present a modeling study of a nanopore-based transistor computed by a mean-field continuum theory (Poisson-Nernst-Planck, PNP) and a hybrid method including particle simulation…
Multiscale modeling of a rectifying bipolar nanopore: explicit-water versus implicit-water simulations
Zoltán Ható, Mónika Valiskó, Tamás Kristóf +2
In a multiscale modeling approach, we present computer simulation results for a rectifying bipolar nanopore on two modeling levels. In an all-atom model, we use explicit water to s…