2 papers
cond-mat.mes-hall2026
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…
cond-mat.mes-hall2026
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…