Efficient algorithms for electrostatic interactions including dielectric contrasts

DOI10.3390/E15114569MaRDI QIDQ280666zbMATH OpenOpenAlexDBLPWikidataFDO

Authors Axel Arnold, Konrad Breitsprecher, Florian Fahrenberger, Stefan Kesselheim, Olaf Lenz, Christian Holm

Publication date 10 May 2016

Published in Entropy (Search for Journal in Brave)

Full work available at URL https://doi.org/10.3390/e15114569

zbMATH Keywords

boundary element methodcomputer simulationdielectric contrastelectrostaticsMaxwell equationsmolecular dynamicsperiodic boundary conditionsPoisson equation

Mathematics Subject Classification ID

Boundary element methods for boundary value problems involving PDEs (65N38) Probabilistic methods, particle methods, etc. for boundary value problems involving PDEs (65N75) Boundary element methods applied to problems in optics and electromagnetic theory (78M15)

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Cites work

• A comparison of Ewald summation techniques for planar surfaces
• Applying \(\text{ICC}^{\star}\) to DNA translocation: Effect of dielectric boundaries
• scientific article; zbMATH DE number 5773710 (Why is no real title available?)
• scientific article; zbMATH DE number 41859 (Why is no real title available?)

Cited in

(6)

• Quasi-periodic boundary conditions for hierarchical algorithms used for the calculation of inter-particle electrostatic interactions
• An integral equation approach to calculate electrostatic interactions in many-body dielectric systems
• Fast evaluation of electro-static interactions in multi-phase dielectric media
• HSMA: an O(N) electrostatics package implemented in LAMMPS
• Incorporating surface polarization effects into large-scale coarse-grained molecular dynamics simulation
• Comparison of efficient techniques for the simulation of dielectric objects in electrolytes

Describes a project that uses

Uses Software

• DUNE
• PDELab
• ESPResSo
• MMM2D

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