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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== Contents ==
 
== Contents ==
* Limits and possibilities: Which systems require coarse graining/all-atom simulations?
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* 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?
 
* Methods to obtain coarse-grained models for MD simulations?
 
* How to validate CG-Models with experiments/ab-initio methods?
 
* How to validate CG-Models with experiments/ab-initio methods?

Revision as of 14:22, 12 January 2015

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

Contents

  • 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.

Literature