The Finite Element Approximation of the Nonlinear Poisson–Boltzmann Equation
✍ Scribed by Chen, Long; Holst, Michael J.; Xu, Jinchao
- Book ID
- 118191015
- Publisher
- Society for Industrial and Applied Mathematics
- Year
- 2007
- Tongue
- English
- Weight
- 257 KB
- Volume
- 45
- Category
- Article
- ISSN
- 0036-1429
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
## Abstract A hybrid approach for solving the nonlinear Poisson–Boltzmann equation (PBE) is presented. Under this approach, the electrostatic potential is separated into (1) a linear component satisfying the linear PBE and solved using a fast boundary element method and (2) a correction term accoun
The nonlinear Poisson-Boltzmann (PB) equation is solved using Newton-Krylov iterations coupled with pseudo-transient continuation. The PB potential is used to compute the electrostatic energy and evaluate the force on a user-specified contour. The PB solver is embedded in a existing, 3D, massively p
The automatic three-dimensional mesh generation system for molecular geometries developed in our laboratory is used to solve the Poisson᎐Boltzmann equation numerically using a finite element method. For a number of different systems, the results are found to be in good agreement with those obtained