Difference between revisions of "Hauptseminar Theorie und Simulation der weichen Materie WS 2014/2015/Coarse-grained simulation models: What is left to be learned"

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|topic=Coarse-grained models for ionic liquids
|topic=Coarse-grained models for ionic liquids
|speaker=Kai Philippi
|tutor= Konrad Breitsprecher, Christian Holm
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== Literature ==
== Literature ==
<bibentry> brini13a, wang09h, baron07a,roy10a, roy10b, breitsprecher14a, breitsprecher14b </bibentry>
<bibentry> brini13a, wang09h, baron07a,roy10a, roy10b, breitsprecher14a, breitsprecher14b, breitsprecher12a, szuttor13a </bibentry>
Kai Szuttor Bsc thesis, 2013

Latest revision as of 11:20, 16 January 2015

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Coarse-grained models for ionic liquids
Kai Philippi
Konrad Breitsprecher, Christian Holm


  • Intro: What is coarse-graining and who needs it?
  • CG and multiscale approaches.
  • Systematic versus heuristic methods to obtain coarse-grained models
  • What is the range of validity of a CG model, and how to compare it to experiments/ab-initio methods?
  • A specific CG-Model from Roy and Maroncelli (RM) : The ionic liquid BMIM PF6:
  • Development and validity of the RM model
  • Application of the RM to capacitor systems
  • Comparison of the RM model to other primitive coarse-grained simulation models