Scalable improvement of SPME multipolar electrostatics in anisotropic polarizable molecular mechanics using a general short-range penetration correction up to quadrupoles

Christophe Narth, Louis Lagardère, Étienne Polack, Nohad Gresh, Qiantao Wang, David R. Bell, Joshua A. Rackers, Jay W. Ponder, Pengyu Y. Ren, Jean-Philip Piquemal. Scalable improvement of SPME multipolar electrostatics in anisotropic polarizable molecular mechanics using a general short-range penetration correction up to quadrupoles. Journal of Computational Chemistry, 37(5):494-506, 2016. [doi]

@article{NarthLPGWBRPRP16,
  title = {Scalable improvement of SPME multipolar electrostatics in anisotropic polarizable molecular mechanics using a general short-range penetration correction up to quadrupoles},
  author = {Christophe Narth and Louis Lagardère and Étienne Polack and Nohad Gresh and Qiantao Wang and David R. Bell and Joshua A. Rackers and Jay W. Ponder and Pengyu Y. Ren and Jean-Philip Piquemal},
  year = {2016},
  url = {http://onlinelibrary.wiley.com/doi/10.1002/jcc.24257/full},
  researchr = {https://researchr.org/publication/NarthLPGWBRPRP16},
  cites = {0},
  citedby = {0},
  journal = {Journal of Computational Chemistry},
  volume = {37},
  number = {5},
  pages = {494-506},
}