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Dr. Raffaello Potestio Physics Dept., University of Trento, Italy Via Sommarive 14 I-38123 Povo, Trento Tel: +39 461 282912 Mail: raffaello.potestio@unitn.it Further information
Prof. Dr. Michael Vogel Institut für Festkörperphysik Technische Universität Darmstadt Hochschulstr. 6 D-64289 Darmstadt Tel: +49 6151 162933 Mail: michael.vogel@physik.tu-darmstadt.de Further information
Prof. Dr. Herbert Egger Department of Mathematics Technische Universität Darmstadt Dolivostraße 15 D-64293 Darmstadt Tel: +49 6151 16-23170 Mail: egger@mathematik.tu-darmstadt.de Further information
Dr. Alf Gerisch Institut für Mathematik Technische Universität Darmstadt Dolivostr. 15 D-64293 Darmstadt Tel: +49 6151 16 70994 Fax: +49 6151 16 2747 Secr: +49 6151 16 4687 Mail: gerisch@mathematik.tu-darmstadt.de Further information
Prof. Dr. Jens Lang Institut für Mathematik Technische Universität Darmstadt Dolivostr. 15 D-64293 Darmstadt Tel: +49 6151 16 2389 Fax: +49 6151 16 2747 Secr: +49 6151 16 4687 Mail: lang@mathematik.tu-darmstadt.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 […]
Integrated research training group (IRTG) The integrated research training group (IRTG) of the TRR 146 provides a joint structured graduate education in the area of Computational Materials Science for the graduate students and young postdocs in the TRR 146 as well as other interested candidates working in related areas. The goals of the IRTG are threefold: 1) to provide students with the interdisciplinary background required for the research activities in the TRR 146, and to prepare them for a possible career in the area of theoretical Materials Sciences 2) to ensure common standards in the education of all graduate students in the TRR 146 by means of a well structured supervision and management program, 3) to establish and strengthen links within the TRR 146 already at the level of graduate students and young postdoctoral researchers. Special emphasis is placed on promoting exchange between groups within and outside of the TRR […]