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- W2071796799 abstract "We review two recently developed efficient approaches for the numerical evaluation of the electrostatic polarization potential in particle-based simulations. The first is an image-charge method that can be applied to systems of spherical dielectric objects and provides a closed-form solution of Poisson's equation through multiple image-charge reflections and numerical evaluation of the resulting line integrals. The second is a boundary-element method that computes the discretized surface bound charge through a combination of the generalized minimal residual method (GMRES) and a fast Ewald solver. We compare the accuracy and efficiency of both approaches as a function of the pertinent numerical parameters. We demonstrate use of the image-charge method in a Monte Carlo simulation using the Barnes–Hut octree algorithm and the boundary-element method in a molecular dynamics simulation using the Particle–Particle Particle–Mesh (PPPM) Ewald method, and present numerical results for the ensemble-averaged induced force between two spherical colloids immersed in an electrolyte." @default.
- W2071796799 created "2016-06-24" @default.
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- W2071796799 date "2015-06-01" @default.
- W2071796799 modified "2023-09-24" @default.
- W2071796799 title "Comparison of efficient techniques for the simulation of dielectric objects in electrolytes" @default.
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- W2071796799 doi "https://doi.org/10.1016/j.jcp.2015.03.019" @default.
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