Difference between revisions of "Bio-systems and Ionic liquids"

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For quantum mechanical simulations, we use
 
For quantum mechanical simulations, we use
 
* [http://icmab.cat/leem/siesta/ Siesta]
 
* [http://icmab.cat/leem/siesta/ Siesta]
 +
* [http://cec.mpg.de/forum/ Orca]

Revision as of 10:08, 1 October 2013

In this topical group we discuss a broad area of research including biological systems and material science. We perform atomistic simulations at two levels, classical as well as quantum-mechanical. Our areas of interests are:


  • Biological systems
  • Pure/bio-materials
  • Dielectrics/ionic liquids
  • Force fields

Schedule

The meeting takes place biweekly on Wednesday at 13:00, if not indicated differently.

  • Wed, 18.09.2013: Initial meeting
  • Wed, 16.10.2013: Talk, How to derive force fields? (Jens Smiatek)

Tools

For classical simulations, we use

For quantum mechanical simulations, we use