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• W2034641526 abstract "Numerical formulations of density functional theories for inhomogeneous fluids (fluid-DFTs) require the solution of large systems of equations with many degrees of freedom (DOF) per node on a computational grid. Historically, solvers for these problems have used simple Picard iterations across DOF or, more recently, fully coupled general algebraic techniques. In this paper we look at fluid-DFTs from a fresh perspective, retaining a fully coupled formulation but segregating variables for the purpose of introducing Schur complement formulations and specialized preconditioners. By viewing fluid-DFTs from this perspective, we develop a mathematical framework and a collection of solution algorithms that have a dramatic impact on the robustness, performance, and scalability of the implicit equations generated by fluid-DFTs." @default.
• W2034641526 created "2016-06-24" @default.
• W2034641526 creator A5063635634 @default.
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• W2034641526 date "2007-01-01" @default.
• W2034641526 modified "2023-09-27" @default.
• W2034641526 title "Parallel Segregated Schur Complement Methods for Fluid Density Functional Theories" @default.
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• W2034641526 doi "https://doi.org/10.1137/060661594" @default.
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