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The Simulation and Theory Group

The computational chemistry group uses a large variety of simulation techniques to study the microscopic structure and dynamics in simple and complex molecular liquids. At the focus of our research are hydrogen bonded liquids, particularly the role of water at biological interfaces. Here a lot can be learned from the behavior of water under extreme metastable conditions such as the supercooled state, or the stretched state. The group has developed its own free multi purpose simulation suite of programs MOSCITO. A description of the recent activities of the simulation and theory group, as well as contact information can be found  here.


Personnel Overview
Name Room Telephone Email
Prof. Dr. Alfons Geiger C1-05-179 (+49)231 755-3937