3 papers
cond-mat.soft2025
Driven Polymer Translocation through a Nanopore from a Confining Channel
Soheila Emamyari, Jalal Sarabadani, Ralf Metzler +1
We consider the dynamics of pore-driven polymer translocation through a nanopore to semi-infinite space when the chain is initially confined and equilibrated in a narrow channel. T…
cond-mat.soft2024
Adsorption of polyelectrolytes in the presence of varying dielectric discontinuity between solution and substrate
Hossein Vahid, Alberto Scacchi, Maria Sammalkorpi +1
We examine the interactions between polyelectrolytes (PEs) and uncharged substrates at conditions corresponding to a dielectric discontinuity between the aqueous solution and the s…
cond-mat.mtrl-sci2024
Atom-wise formulation of the many-body dispersion problem for linear-scaling van der Waals corrections
Heikki Muhli, Tapio Ala-Nissila, Miguel A. Caro
A common approach to modeling dispersion interactions and overcoming the inaccurate description of long-range correlation effects in electronic structure calculations is the use of…