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 simulation models: What is left to be learned
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|topic=Coarse-grained models for ionic liquids
 
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== Contents ==
 
== Contents ==
* Limits and possibilities: Which systems require coarse graining, when do we need the full complexity of an all-atom simulations?
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* Intro: What is coarse-graining and who needs it?
* Methods to obtain coarse-grained models for MD simulations?
 
* How to validate CG-Models with experiments/ab-initio methods?
 
 
* CG and multiscale approaches.
 
* CG and multiscale approaches.
* Examplary CG-Model: The ionic liquid BMIM PF6 and its application in capacitor systems.
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* Systematic versus heuristic methods to obtain coarse-grained models
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* What is the range of validity of a CG model, and how to compare it to  experiments/ab-initio methods?
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* Examplary CG-Model: The ionic liquid BMIM PF6 and its application to capacitor systems.
  
 
== Literature ==
 
== Literature ==

Revision as of 15:36, 12 January 2015

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Date
Topic
Coarse-grained models for ionic liquids
Speaker

Contents

  • 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?
  • Examplary CG-Model: The ionic liquid BMIM PF6 and its application to capacitor systems.

Literature