Fully implicit ADI schemes for solving the nonlinear Poisson-Boltzmann equation
DOI10.2478/MLBMB-2013-0006zbMATH Open1276.65063OpenAlexW2013220345MaRDI QIDQ2863928FDOQ2863928
Authors: Weihua Geng, Shan Zhao
Publication date: 5 December 2013
Published in: Molecular Based Mathematical Biology (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.2478/mlbmb-2013-0006
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operator splittingnonlinear Poisson-Boltzmann equationsolvation free energyelectrostatic potentialmolecular surfacealternating direction implicit scheme
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Cites Work
- Computing the Ground State Solution of Bose--Einstein Condensates by a Normalized Gradient Flow
- Title not available (Why is that?)
- Operator splitting implicit integration factor methods for stiff reaction-diffusion-advection systems
- On time-splitting spectral approximations for the Schrödinger equation in the semiclassical regime
- High order matched interface and boundary method for elliptic equations with discontinuous coefficients and singular sources
- Theory of Solutions of Molecules Containing Widely Separated Charges with Special Application to Zwitterions
- Biomolecular electrostatics using a fast multipole BEM on up to 512 GPUs and a billion unknowns
- Parallel higher-order boundary integral electrostatics computation on molecular surfaces with curved triangulation
- A treecode-accelerated boundary integral Poisson-Boltzmann solver for electrostatics of solvated biomolecules
- A GPU-accelerated direct-sum boundary integral Poisson-Boltzmann solver
- The electric potential of a macromolecule in a solvent: A fundamental approach
- Continuum solvation model: Computation of electrostatic forces from numerical solutions to the Poisson-Boltzmann equation
- Differential geometry based solvation model. I: Eulerian formulation
- Differential geometry based multiscale models
- Geometric and potential driving formation and evolution of biomolecular surfaces
- Pseudo-time-coupled nonlinear models for biomolecular surface representation and solvation analysis
- A generalized Douglas ADI method for solving three‐dimensional parabolic differential equations on multilayers
- Title not available (Why is that?)
- Local spectral time splitting method for first- and second-order partial differential equations
Cited In (16)
- Pseudo-transient ghost fluid methods for the Poisson-Boltzmann equation with a two-component regularization
- A super-Gaussian Poisson-Boltzmann model for electrostatic free energy calculation: smooth dielectric distribution for protein cavities and in both water and vacuum states
- A matched Peaceman-Rachford ADI method for solving parabolic interface problems
- A Poisson-Boltzmann solver on irregular domains with Neumann or Robin boundary conditions on non-graded adaptive grid
- A new discontinuous Galerkin method for the nonlinear Poisson-Boltzmann equation
- Operator splitting ADI schemes for pseudo-time coupled nonlinear solvation simulations
- A spatially second order alternating direction implicit (ADI) method for solving three dimensional parabolic interface problems
- Adaptive numerical method for Poisson-Boltzmann equation and its application
- On developing stable finite element methods for pseudo-time simulation of biomolecular electrostatics
- A two-component matched interface and boundary (MIB) regularization for charge singularity in implicit solvation
- A matched alternating direction implicit (ADI) method for solving the heat equation with interfaces
- Galerkin-Chebyshev pseudo spectral method and a split step new approach for a class of two dimensional semi-linear parabolic equations of second order
- Multi-core CPU or GPU-accelerated multiscale modeling for biomolecular complexes
- Unconditionally stable time splitting methods for the electrostatic analysis of solvated biomolecules
- An Adaptive, Finite Difference Solver for the Nonlinear Poisson-Boltzmann Equation with Applications to Biomolecular Computations
- A Newton-like iterative method implemented in the DelPhi for solving the nonlinear Poisson-Boltzmann equation
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