Clusters, Liquids and Interfaces

Prof. Dr. R. Ludwig

(Physikalische Chemie/Theoretische Chemie, Universität Rostock)

Montag/Monday, 2006-4-3 16:15, PN 114

Eugene-Paul-Wigner Gebäude (Physik-Neubau), Hardenbergstr. 36, 10623 Berlin

Abstract:

We study the properties of molecular clusters, liquids and interfaces by using a combination of experimental and theoretical methods. This includes density-functional calculations, classical molecular dynamics simulations and Car-Parrinello molecular dynamics simulations as theoretical methods as well as FTIR/Raman and NMR spectroscopy on the experimental side. We investigate the structural and dynamical behaviour on the molecular scale and aim to predict macroscopic properties on the basis of the molecular interaction.