Boundary conditions in local electrostatics algorithms.
We study the simulation of charged systems in the presence of general boundary conditions in a local Monte Carlo algorithm based on a constrained electric field. We first show how to implement constant-potential, Dirichlet boundary conditions by introducing extra Monte Carlo moves to the algorithm. Second, we show the interest of the algorithm for studying systems which require anisotropic electrostatic boundary conditions for simulating planar geometries such as membranes.
Physique des Liquides et Milieux Complexes, Faculté des Sciences et Technologie, Université Paris Est (Créteil), 61 Avenue du Général-de-Gaulle, F-94010 Créteil Cedex, France. lucas.levrel@ens-lyon.org
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