Comparison of treecodes for computing electrostatic potentials in charged particle systems with disjoint targets and sources

@article{Boateng2013ComparisonOT,
  title={Comparison of treecodes for computing electrostatic potentials in charged particle systems with disjoint targets and sources},
  author={Henry A. Boateng and Robert Krasny},
  journal={Journal of computational chemistry},
  year={2013},
  volume={34 25},
  pages={2159-67}
}
In molecular simulations, it is sometimes necessary to compute the electrostatic potential at M target sites due to a disjoint set of N charged source particles. Direct summation requires O(MN) operations, which is prohibitively expensive when M and N are large. Here, we consider two alternative tree-based methods that reduce the cost. The standard particle… CONTINUE READING