Efficient algorithms for electrostatic interactions including dielectric contrasts

DOI10.3390/e15114569zbMath1355.78041DBLPjournals/entropy/ArnoldBFKLH13OpenAlexW1977703420WikidataQ59901406 ScholiaQ59901406MaRDI QIDQ280666

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

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 methodMaxwell equationsperiodic boundary conditionsPoisson equationcomputer simulationelectrostaticsmolecular dynamicsdielectric contrast

Mathematics Subject Classification ID

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

Related Items (1)

Incorporating surface polarization effects into large-scale coarse-grained molecular dynamics simulation

Uses Software

• DUNE
• PDELab
• ESPResSo
• MMM2D

Cites Work

• Applying \(\text{ICC}^{\star}\) to DNA translocation: Effect of dielectric boundaries
• A comparison of Ewald summation techniques for planar surfaces
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