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.stat-mech2026
Interplay of ion availability and mobility in the loss of cation selectivity for CaCl\textsubscript{2} in negatively charged nanopores: molecular dynamics using scaled-charge models
Salman Shabbir, Dezső Boda, Zoltán Ható
Ion transport through charged nanopores is commonly interpreted in terms of electrical double layer structure, leading to the expectation of cation-selective conduction in negative…