The immersed interface method: a numerical approach for partial differential equations with interfaces
Surface simplification using quadric error metrics
Proceedings of the 24th annual conference on Computer graphics and interactive techniques
SIAM Journal on Numerical Analysis
SIAM Journal on Numerical Analysis
Structural boundary design via level set and immersed interface methods
Journal of Computational Physics
Computational Biology (Chapman & Hall/Crc Mathematical and Computational Biology Series)
Computational Biology (Chapman & Hall/Crc Mathematical and Computational Biology Series)
Quality mesh generation for molecular skin surfaces using restricted union of balls
Computational Geometry: Theory and Applications
A Fast Solver for a Nonlocal Dielectric Continuum Model
SIAM Journal on Scientific Computing
Hi-index | 31.45 |
The electrostatic behavior of biomolecules solved in water can be described by an elliptic system of partial differential equations for the potential. In previous studies, this system has been solved by the Boundary Element Method (BEM). In this paper, we apply the Explicit Jump Immersed Interface Method (EJIIM) as an alternative method to the BEM. Such a finite difference approach allows for a completely automatized software for analyzing biomolecules in their natural surrounding. The new method shows excellent agreement with the BEM results and has good convergence properties and runtimes. In addition, in contrast to the BEM, where the fundamental solutions of operators are necessary, the EJIIM approach can be easily extended to more complex, especially nonlinear models.