activity
19922025
most citedNeuroevolution machine learning potentials: Combining high accuracy and low cost in atomistic simulations and application to heat transport

526 citations · 8k across the 188 of their papers we have counts for

collaborators

192 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.mtrl-sci2024★ 1 cited

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…

cond-mat.soft2024★ 8 cited

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…

physics.flu-dyn2023

Non-Stokesian dynamics of magnetic helical nanoswimmers under confinement

Alireza Fazeli, Vaibhav Thakore, Tapio Ala-Nissila +1

Electromagnetically propelled helical nanoswimmers offer great potential for nanorobotic applications. Here, the effect of confinement on their propulsion is characterized using la…

cond-mat.soft2023

Non-monotonic electrophoretic mobility of rod-like polyelectrolytes by multivalent coions in added salt

Hossein Vahid, Alberto Scacchi, Maria Sammalkorpi +1

It is well established that when multivalent counterions or salts are added to a solution of highly-charged polyelectrolytes (PEs), correlation effects can cause charge inversion o…

cond-mat.soft2022★ 6 cited

Theoretical and computational analysis of the electrophoretic polymer mobility inversion induced by charge correlations

Xiang Yang, Sahin Buyukdagli, Alberto Scacchi +2

Electrophoretic (EP) mobility reversal is commonly observed for strongly charged macromolecules in multivalent salt solutions. This curious effect takes place, e.g., when a charged…