16 citations · 26 across the 4 of their papers we have counts for
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cond-mat.stat-mech2021
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…
cond-mat.stat-mech2020★ 16 cited
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…