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, search
(Literature)
 
(17 intermediate revisions by 2 users not shown)
Line 1: Line 1:
More information will become available soon.
 
  
 
{{Seminartopic
 
{{Seminartopic
|topic=Coarse-grained simulation models: What is left to be learned
+
|topic=Coarse-grained models for ionic liquids
|speaker=
+
|speaker=Kai Philippi
 
|date=
 
|date=
|tutor=
+
|tutor= Konrad Breitsprecher, Christian Holm
 
}}
 
}}
  
 
== Contents ==
 
== 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?
 +
* 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
  
 
== Literature ==
 
== Literature ==
  
*
+
<bibentry> brini13a, wang09h, baron07a,roy10a, roy10b, breitsprecher14a, breitsprecher14b, breitsprecher12a, szuttor13a </bibentry>

Latest revision as of 11:20, 16 January 2015

Datum
Thema
Coarse-grained models for ionic liquids
Vortragender
Kai Philippi
Betreuer
Konrad Breitsprecher, Christian Holm

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?
  • 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

Literature