Parallel higher-order boundary integral electrostatics computation on molecular surfaces with curved triangulation
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Publication:346360
DOI10.1016/j.jcp.2013.01.029zbMath1349.78083arXiv1301.5914OpenAlexW2075229464MaRDI QIDQ346360
Publication date: 5 December 2016
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/1301.5914
Electromagnetic effects in solid mechanics (74F15) Boundary element methods applied to problems in optics and electromagnetic theory (78M15) Boltzmann equations (35Q20)
Related Items (6)
Parallel AFMPB solver with automatic surface meshing for calculation of molecular solvation free energy ⋮ A boundary integral Poisson-Boltzmann solvers package for solvated bimolecular simulations ⋮ A treecode-accelerated boundary integral Poisson-Boltzmann solver for electrostatics of solvated biomolecules ⋮ An implicit boundary integral method for computing electric potential of macromolecules in solvent ⋮ On preconditioning the treecode-accelerated boundary integral (TABI) Poisson-Boltzmann solver ⋮ Fully implicit ADI schemes for solving the nonlinear Poisson-Boltzmann equation
Uses Software
Cites Work
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- A treecode-accelerated boundary integral Poisson-Boltzmann solver for electrostatics of solvated biomolecules
- Multiscale molecular dynamics using the matched interface and boundary method
- Molecular modeling and simulation. An interdisciplinary guide
- A new version of the fast multipole method for screened Coulomb interactions in three dimensions
- A Cartesian treecode for screened Coulomb interactions
- Parallel efficiency can be greater than unity
- The electric potential of a macromolecule in a solvent: A fundamental approach
- On numerical cubatures of singular surface integrals in boundary element methods
- Continuum solvation model: Computation of electrostatic forces from numerical solutions to the Poisson-Boltzmann equation
- Boundary element methods for Maxwell's equations on non-smooth domains
- Biomolecular electrostatics using a fast multipole BEM on up to 512 GPUs and a billion unknowns
- ``New-version-fast-multipole-method accelerated electrostatic calculations in biomolecular sys\-tems
- Extending the fast multipole method for charges inside a dielectric sphere in an ionic solvent: high-order image approximations for reaction fields
- An Efficient Higher-Order Fast Multipole Boundary Element Solution for Poisson–Boltzmann-Based Molecular Electrostatics
- Icosahedral Discretization of the Two-Sphere
- Theory of Solutions of Molecules Containing Widely Separated Charges with Special Application to Zwitterions
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