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] | ||
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Revision as of 11:08, 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