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
The printable version is no longer supported and may have rendering errors. Please update your browser bookmarks and please use the default browser print function instead.

More information will become available soon.

"{{{number}}}" is not a number.
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.