Simulating nanoscale dielectric response

Abstract

We introduce a constrained energy functional to describe dielectric response. We demonstrate that the local functional is a generalization of the long ranged Marcus energy. Our re-formulation is used to implement a cluster Monte Carlo algorithm for the simulation of dielectric media. The algorithm avoids solving the Poisson equation and remains efficient in the presence of spatial heterogeneity, nonlinearity and scale dependent dielectric properties.

4 pages, 2 figures. Revtex4

References in corpus (6)

• Local Molecular Dynamics with Coulombic Interaction
• Cluster Monte Carlo Algorithm for the Quantum Rotor Model
• Coulomb Interactions via Local Dynamics: A Molecular--Dynamics Algorithm
• Conductance of ion channels and nanopores with charged walls: a toy model
• Auxiliary field Monte-Carlo for charged particles
• Local Simulation Algorithms for Coulombic Interactions

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