@Article{CiCP-13-107,
author = {Bo Zhang, Benzhuo Lu, Xiaolin Cheng, Jingfang Huang, Nikos P. Pitsianis, Xiaobai Sun and J. Andrew McCammon},
title = {Mathematical and Numerical Aspects of the Adaptive Fast Multipole Poisson-Boltzmann Solver},
journal = {Communications in Computational Physics},
year = {2013},
volume = {13},
number = {1},
pages = {107--128},
abstract = {<p style="text-align: justify;">This paper summarizes the mathematical and numerical theories and computational elements of the adaptive fast multipole Poisson-Boltzmann (AFMPB) solver.
We introduce and discuss the following components in order: the Poisson-Boltzmann
model, boundary integral equation reformulation, surface mesh generation, the node-patch discretization approach, Krylov iterative methods, the new version of fast multipole methods (FMMs), and a dynamic prioritization technique for scheduling parallel
operations. For each component, we also remark on feasible approaches for further
improvements in efficiency, accuracy and applicability of the AFMPB solver to large-scale long-time molecular dynamics simulations. The potential of the solver is demonstrated with preliminary numerical results.</p>},
issn = {1991-7120},
doi = {https://doi.org/10.4208/cicp.210711.111111s},
url = {http://global-sci.org/intro/article_detail/cicp/7214.html}
}