16 citations · 26 across the 4 of their papers we have counts for
4 papers
Structure and dynamics of ionic liquids under shear flow
Abbas Gholami, Sebastian Kloth, Zhen-Hao Xu +4
We investigate the intrinsic behavior of ionic liquids under shear flow, using a coarse-grained model of C4mim-PF6 as a prototypical example. The importance of long-ranged electros…
Simulation of a particle domain in a continuum/fluctuating hydrodynamics reservoir
Abbas Gholami, Rupert Klein, Luigi Delle Site
In molecular simulation and fluid mechanics, the coupling of a particle domain with a continuum representation of its embedding environment is an ongoing challenge. In this work, w…
On the relation between pressure and coupling potential in adaptive resolution simulations of open systems in contact with a reservoir
Abbas Gholami, Rupert Klein, Luigi Delle Site
In a previous paper [Gholami et al. Adv.Th.Sim.4, 2000303 (2021)], we have identified a precise relation between the chemical potential of a fully atomistic simulation and the simu…
Thermodynamic relations at the coupling boundary in adaptive resolution simulations for open systems
Abbas Gholami, Felix Höfling, Rupert Klein +1
The adaptive resolution simulation (AdResS) technique couples regions with different molecular resolutions and allows the exchange of molecules between different regions in an adap…