76 citations · 244 across the 10 of their papers we have counts for
12 papers
The interplay of cation/anion and monovalent/divalent selectivity in negatively charged nanopores: local charge inversion and anion leakage
Eszter Lakics, Mónika Valiskó, Dirk Gillespie +1
The anomalous mole fraction effect (AMFE) is widely regarded as a hallmark of calcium versus monovalent ion selectivity in negatively charged pores. While AMFE is well understood i…
Individual ion species chemical potentials in the Mean Spherical Approximation
Johan S. Høye, Dirk Gillespie
The Mean Spherical Approximation (MSA) is a commonly-used thermodynamic theory for computing the energetics of ions in the primitive model (i.e., charged hard-sphere ions in a back…
Impedance response of ionic liquids in long slit pores
Ruben J. Tomlin, Tribeni Roy, Toby L. Kirk +2
We study the dynamics of ionic liquids in a thin slit pore geometry. Beginning with the classical and dynamic density functional theories for systems of charged hard spheres, an as…
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…
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…