Polymeric materials show outstanding mechanical properties and have attracted a great deal of scientific interest. By means of all-atom molecular dynamics, we simulated carbon-based polymeric plastics. We employed the collapsing-annealing to assemble atomic models of polymeric material, and further refined it to allow sculpting composite materiasl that include different phases (crystalline/amorphous) and components (carbon nanotubes/bulk amorphous polymers).
HITS, the Heidelberg Institute for Theoretical Studies, was established in 2010 by physicist and SAP co-founder Klaus Tschira (1940-2015) and the Klaus Tschira Foundation as a private, non-profit research institute. HITS conducts basic research in the natural, mathematical, and computer sciences. Major research directions include complex simulations across scales, making sense of data, and enabling science via computational research. Application areas range from molecular biology to astrophysics. An essential characteristic of the Institute is interdisciplinarity, implemented in numerous cross-group and cross-disciplinary projects. The base funding of HITS is provided by the Klaus Tschira Foundation.