Systematic bottom-up molecular coarse-graining via force matching using anisotropic particles

HIGHLIGHTS

• who: Huong T.L., Nguyen and David M., Huang from the Department of Chemistry, School of Physical Sciences, The University of Adelaide, Adelaide, South Australia, Australia have published the article: Systematic Bottom-Up Molecular Coarse-Graining via Force Matching using Anisotropic Particles, in the Journal: (JOURNAL)
• what: 8 Although this approach has a basis in statistical mechanics theory, it uses reduced information about the condensed-phase system rather than the full many-body CG PMF, 2 and so is not readily systematically improved to account for higher 3 order correlations. The authors derive a systematic . . .
  

   

  

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