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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* <bibentry> breitsprecher14b </bibentry>
* <bibentry> roy10a </bibentry>
* <bibentry> roy10b </bibentry>

Revision as of 15:23, 12 January 2015

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Coarse-grained simulation models: What is left to be learned


  • Limits and possibilities: Which systems require coarse graining, when do we need the full complexity of an all-atom simulations?
  • Methods to obtain coarse-grained models for MD simulations?
  • How to validate CG-Models with experiments/ab-initio methods?
  • CG and multiscale approaches.
  • Examplary CG-Model: The ionic liquid BMIM PF6 and its application in capacitor systems.