title: Particle-based simulation of charge transport in discrete-charge nano-scale systems: the electrostatic problem.
abstract: The fast and accurate computation of the electric forces that drive the motion of charged particles at the nanometer scale represents a computational challenge. For this kind of system, where the discrete nature of the charges cannot be neglected, boundary element methods (BEM) represent a better approach than finite differences/finite elements methods. In this article, we compare two different BEM approaches to a canonical electrostatic problem in a three-dimensional space with inhomogeneous dielectrics, emphasizing their suitability for particle-based simulations: the iterative method proposed by Hoyles et al. and the Induced Charge Computation introduced by Boda et al.
authors.affiliation: ARCES, University of Bologna and IUNET, Via Venezia 260, 47521, Cesena, Italy. cberti@arces.unibo.it.
authors.forename: Claudio
authors.initials: C
authors.lastname: Berti
authors.forename: Dirk
authors.initials: D
authors.lastname: Gillespie
authors.forename: Robert S
authors.initials: RS
authors.lastname: Eisenberg
authors.forename: Claudio
authors.initials: C
authors.lastname: Fiegna