38 citations · 300 across the 22 of their papers we have counts for
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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…
Modeling electrolytes in nanopores by Monte Carlo simulations and the Bazant--Storey--Kornyshev model
Nader Nekoubin, David Fertig, Dezső Boda +1
We study electrolyte-filled cylindrical nanopores through Monte Carlo (MC) simulations and the Bazant--Storey--Kornyshev model, for different ionic valencies, sizes, and bulk conce…
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…