526 citations · 8k across the 188 of their papers we have counts for
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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…
Polymer translocation in an environment of active rods
Hamidreza Khalilian, Jalal Sarabadani, Tapio Ala-Nissila
We consider the dynamics of a translocation process of a flexible linear polymer through a nanopore into an environment of active rods in the {\it trans} side. Using Langevin dynam…
Interactions between polyelectrolytes mediated by ordering and orientation of multivalent non-spherical ions in salt solutions
Hossein Vahid, Alberto Scacchi, Maria Sammalkorpi +1
Multivalent ions in solutions with polyelectrolytes (PE) induce electrostatic correlations that can drastically change ion distributions around the PEs and their mutual interaction…
Vacancy-related color centers in twodimensional silicon carbide monolayers
M. Mohseni, I. Abdolhosseini Sarsari, S. Karbasizadeh +4
Basic vacancy defects in twodimensional silicon carbide (2D-SiC) are examined by means of density functional theory calculations to explore their magneto-optical properties as well…
GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations
Zheyong Fan, Yanzhou Wang, Penghua Ying +17
We present our latest advancements of machine-learned potentials (MLPs) based on the neuroevolution potential (NEP) framework introduced in [Fan et al., Phys. Rev. B 104, 104309 (2…
Variable thermal transport in black, blue, and violet phosphorene from extensive atomistic simulations with a neuroevolution potential
Penghua Ying, Ting Liang, Ke Xu +6
Phosphorus has diverse chemical bonds and even in its two-dimensional form there are three stable allotropes: black phosphorene (Black-P), blue phosphorene (Blue-P), and violet pho…