A fast solver for a nonlocal dielectric continuum model

DOI10.1137/110839254MaRDI QIDQ2904833zbMATH OpenOpenAlexFDO

Authors Dexuan Xie, Peter Brune, L. Ridgway Scott, Yi Jiang

Publication date 23 August 2012

Published in SIAM Journal on Scientific Computing (Search for Journal in Brave)

Full work available at URL https://semanticscholar.org/paper/efd2515271ac5192680b6eb9ebf79c4669c6c0d5

zbMATH Keywords

finite element methodPoisson equationelectrostatic potentialnonlocal dielectric continuum model

Mathematics Subject Classification ID

Electro- and magnetostatics (78A30) Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) Computational methods for problems pertaining to biology (92-08) Finite element, Galerkin and related methods applied to problems in optics and electromagnetic theory (78M10)

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Cited in

(9)

• An implicit boundary integral method for computing electric potential of macromolecules in solvent
• A nonlocal modified Poisson-Boltzmann equation and finite element solver for computing electrostatics of biomolecules
• A simple and efficient technique to accelerate the computation of a nonlocal dielectric model for electrostatics of biomolecule
• Nonlocal electrostatics in spherical geometries using eigenfunction expansions of boundary-integral operators
• Comparative assessment of nonlocal continuum solvent models exhibiting overscreening
• SDPBS web server for calculation of electrostatics of ionic solvated biomolecules
• Multiscale geometric modeling of macromolecules. I: Cartesian representation
• An improved finite integration method for nonlocal nonlinear Schrödinger equations
• Poisson-Fermi formulation of nonlocal electrostatics in electrolyte solutions

Describes a project that uses

Uses Software

• DOLFIN
• Trilinos
• PETSc
• UMFPACK

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