Difference between revisions of "Bio-systems and Ionic liquids"
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m (Olenz moved page Internal:Atomistics topical meeting to Atomistics topical meeting) |
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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: | ||
| + | |||
| + | |||
| + | * Biological systems | ||
| + | * Pure/bio-materials | ||
| + | * Dielectrics/ionic liquids | ||
| + | * Force fields | ||
| + | |||
== 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 | ||
| + | * Wed, '''16.10.2013''': Talk, How to derive force fields? (Jens Smiatek) | ||
| + | |||
| + | == Tools == | ||
| + | For classical simulations, we use | ||
| + | * [http://espressomd.org/ ESPResSo] | ||
| + | * [http://www.gromacs.org/ Gromacs] | ||
| + | * [http://lammps.sandia.gov/ LAMMPS] | ||
| + | |||
| + | For quantum mechanical simulations, we use | ||
| + | * [http://icmab.cat/leem/siesta/ Siesta] | ||
Revision as of 11:00, 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