Efficient order-adaptive methods for polymer self-consistent field theory

DOI10.1016/J.JCP.2019.02.027MaRDI QIDQ2218567zbMATH OpenOpenAlexWikidataFDO

Authors Hector D. Ceniceros

Publication date 15 January 2021

Published in Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.jcp.2019.02.027

zbMATH Keywords

Chebyshev nodesClenshaw-Curtis type quadraturemean field approximationspectral deferred correctionspectral integration

Mathematics Subject Classification ID

Mesh generation, refinement, and adaptive methods for boundary value problems involving PDEs (65N50) Statistical mechanics of polymers (82D60) Spectral, collocation and related (meshless) methods applied to problems in statistical mechanics (82M22)

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• A finite element method of the self-consistent field theory on general curved surfaces

Cites work

• A method for numerical integration on an automatic computer
• A study of singularity formation in a vortex sheet by the point-vortex approximation
• Efficient numerical schemes for solving the self-consistent field equations of flexible-semiflexible diblock copolymers
• scientific article; zbMATH DE number 3867259 (Why is no real title available?)
• scientific article; zbMATH DE number 940566 (Why is no real title available?)
• Implementing Clenshaw-Curtis quadrature, I methodology and experience
• Implicit-Explicit Methods for Time-Dependent Partial Differential Equations
• Implicit-explicit Runge-Kutta methods for time-dependent partial differential equations
• Is Gauss Quadrature Better than Clenshaw–Curtis?
• Numerical Solution of Polymer Self-Consistent Field Theory
• On the Construction and Comparison of Difference Schemes
• Spectral deferred correction methods for ordinary differential equations
• The equilibrium theory of inhomogeneous polymers. With a foreword by S. F. Edwards.
• The singular perturbation of surface tension in Hele-Shaw flows

Cited in

(7)

• The properties of the iterative solution of the inverse Dyson equation for the calculation of correlation corrected band structures of polymers
• Deep learning and self-consistent field theory: a path towards accelerating polymer phase discovery
• Self-consistent field theory simulations of polymers on arbitrary domains
• Efficient numerical schemes for solving the self-consistent field equations of flexible-semiflexible diblock copolymers
• An adaptive virtual element method for the polymeric self-consistent field theory
• High-accurate and efficient numerical algorithms for the self-consistent field theory of liquid-crystalline polymers
• An adaptive high-order surface finite element method for polymeric self-consistent field theory on general curved surfaces

Describes a project that uses

Uses Software

• Clenshaw-Curtis
• RODAS

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