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

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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:
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* Biological systems
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* Pure/bio-materials
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* Dielectrics/ionic liquids
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* Force fields
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== Schedule ==
 
== Schedule ==
 
The meeting takes place biweekly on '''Wednesday at 13:00''', if not indicated differently.
 
The meeting takes place biweekly on '''Wednesday at 13:00''', if not indicated differently.
  
 
* Wed, '''18.09.2013''': Initial meeting
 
* Wed, '''18.09.2013''': Initial meeting
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* Wed, '''16.10.2013''': Talk, How to derive force fields? (Jens Smiatek)
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== Tools ==
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For classical simulations, we use
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* [http://espressomd.org/ ESPResSo]
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* [http://www.gromacs.org/ Gromacs]
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* [http://lammps.sandia.gov/ LAMMPS]
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For quantum mechanical simulations, we use
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* [http://icmab.cat/leem/siesta/ Siesta]

Revision as of 10:00, 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