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

From ICPWiki
Jump to navigation Jump to search
Line 20: Line 20:
== Literature ==
== Literature ==
<bibentry> brini13a </bibentry>
<bibentry> brini13a, underhill04a , wang09h, baron07a,roy10a, roy10b, breitsprecher14a, breitsprecher14b </bibentry>
<bibentry> underhill04a </bibentry>
<bibentry> wang09h </bibentry>
<bibentry> marrink07a </bibentry>
<bibentry> baron07a </bibentry>
<bibentry> roy10a </bibentry>
<bibentry> roy10b </bibentry>
<bibentry> breitsprecher14a </bibentry>
<bibentry> breitsprecher14b </bibentry>

Revision as of 16:54, 12 January 2015

More information will become available soon.

"{{{number}}}" is not a number.
Coarse-grained models for ionic liquids


  • 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