Simulating nanoscale dielectric response
classification
❄️ cond-mat.soft
cond-mat.mtrl-scicond-mat.stat-mech
keywords
dielectricalgorithmenergyfunctionalresponseavoidscarlocluster
read the original 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.
This paper has not been read by Pith yet.
discussion (0)
Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.