A self-adjusting FEM-BEM scheme automatically optimizes the relaxation parameter for the nonlinear Poisson-Boltzmann equation, achieving faster convergence and a 1.37x speed-up on tested RNA structures.
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Analysis of diffuse interfaces via tanh(k_p x) in Poisson-Boltzmann models shows large sensitivity of solvation and binding energies to k_p, with an optimum near 3 for solvation energies but high sensitivity (range 2-20) for binding.
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A Self-Adjusting FEM-BEM Coupling Scheme for the Nonlinear Poisson-Boltzmann Equation
A self-adjusting FEM-BEM scheme automatically optimizes the relaxation parameter for the nonlinear Poisson-Boltzmann equation, achieving faster convergence and a 1.37x speed-up on tested RNA structures.
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Some challenges of diffused interfaces in implicit-solvent models
Analysis of diffuse interfaces via tanh(k_p x) in Poisson-Boltzmann models shows large sensitivity of solvation and binding energies to k_p, with an optimum near 3 for solvation energies but high sensitivity (range 2-20) for binding.