Coarse-graining in polymer simulation: from the atomistic to the mesoscopic scale and back.

@article{MllerPlathe2002CoarsegrainingIP,
  title={Coarse-graining in polymer simulation: from the atomistic to the mesoscopic scale and back.},
  author={Florian M{\"u}ller-Plathe},
  journal={Chemphyschem : a European journal of chemical physics and physical chemistry},
  year={2002},
  volume={3 9},
  pages={755-69}
}
Polymers can be theoretically and computationally described by models pertaining to different length scales and corresponding time scales. These models have traditionally been used independently of each other. Recently, considerable progress has been made in systematically linking models of different scales. This Review focuses on the generation of lattice and off-lattice coarse-grained polymer models, whose "monomers" correspond to roughly a chemical repeat unit, from chemically detailed… CONTINUE READING

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