The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models.

@article{Noid2008TheMC,
  title={The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models.},
  author={William G Noid and Jhih-Wei Chu and Gary S. D. Ayton and Vinod Krishna and Sergei Izvekov and Gregory A. Voth and Avisek Das and Hans Christian Andersen},
  journal={The Journal of chemical physics},
  year={2008},
  volume={128 24},
  pages={244114}
}
Coarse-grained (CG) models provide a computationally efficient method for rapidly investigating the long time- and length-scale processes that play a critical role in many important biological and soft matter processes. Recently, Izvekov and Voth introduced a new multiscale coarse-graining (MS-CG) method [J. Phys. Chem. B 109, 2469 (2005); J. Chem. Phys. 123, 134105 (2005)] for determining the effective interactions between CG sites using information from simulations of atomically detailed… CONTINUE READING