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Dr. Joseph F. Rudzinski Max-Planck-Institut für Polymerforschung Ackermannweg 10 D-55128 Mainz Tel: +49 6131 379478 Mail: rudzinski@mpip-mainz.mpg.de Further information
Dr. Tristan Bereau Max Planck-Institut für Polymerforschung Ackermannweg 10 D-55128 Mainz Tel: +49 6131 379478 Fax: +49 6131 379340 Mail: bereau@mpip-mainz.mpg.de Further information
Dr. Oleksandra Kukharenko Max Planck-Institut für Polymerforschung Ackermannweg 10 D-55128 Mainz Tel: +49 6131 379783 Fax: +49 6131 379340 Mail: kukharenko@mpip-mainz.mpg.de Further information
Project A6: Coarse-grained models for dynamically asymmetric liquid mixtures under non-equilibrium conditions he main goal of this project is to gain better insight into the mapping of time-dependent properties of complex molecular systems, when studied using multiscale simulations. While the mapping of length scales is inherently defined by the coarse-graining procedure, the mapping of dynamic processes involves a complex combination of factors due to both the removal of degrees of freedom as well as approximations made in determining the coarse-grained (CG) interactions based on a reference all-atom (AA) model. As a consequence, the development of dynamically-consistent CG models is particularly challenging when various dynamic processes on different time scales coexist. To investigate these issues, we have focused on two important classes of systems, liquid crystals (LCs) and ionic liquids (ILs), which pair technological relevance with appropriate dynamics, and still show well defined modes of motion despite their significant complexity. In […]