Multilevel Fragment-Based Approach (MFBA): A Novel Hybrid Computational Method for the Study of Large Molecules.

@article{ez2010MultilevelFA,
  title={Multilevel Fragment-Based Approach (MFBA): A Novel Hybrid Computational Method for the Study of Large Molecules.},
  author={Jan Řez{\'a}{\vc} and Dennis R. Salahub},
  journal={Journal of chemical theory and computation},
  year={2010},
  volume={6 1},
  pages={91-9}
}
We present a novel method for the calculation of large molecules and systems, the multilevel fragment-based approach. It is based on dividing the system into small fragments followed by separate calculations of these fragments and the interactions between them. Unlike previous fragmentation-based methods, we use multiple computational methods for the… CONTINUE READING