Simulations of Coulomb systems with slab geometry using an efficient 3D Ewald summation method

We present a new approach to efficiently simulate electrolytes confined between infinite charged walls using a 3d Ewald summation method. The optimal performance is achieved by separating the electrostatic potential produced by the charged walls from the electrostatic potential of electrolyte. The e...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	The Journal of chemical physics 2016-04, Vol.144 (14), p.144103-144103
Hauptverfasser:	dos Santos, Alexandre P., Girotto, Matheus, Levin, Yan
Format:	Artikel
Sprache:	eng
Schlagworte:	Charging Computer simulation Divergence Electrolytes Finite element method Walls
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!