Bio-systems and Ionic liquids

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

• ESPResSo
• Gromacs
• LAMMPS

For quantum mechanical simulations, we use

• Siesta
• Orca