17:15 Uhr im Seminarraum 1.27 Von-Danckelmann-Platz 4, 06120 Halle
Faculty of Physics, Moscow State University, Moscow, Russia
“To what extent can mesoscale computer simulation be used to predict properties of (macro)molecular systems?“
Abstract:
In this talk, I will give an overview about recent work in my group on the mesoscale computer simulation of conformational and dynamic properties of several (macro)molecular systems. In our studies, we have used the dissipative particle dynamics (DPD) method [1,2]. Following the multiscale computer simulation approach, we have developed coarse-grained (CG) models for polymer nanocomposites [3], organic and water solutions of lecithin and bile-salts [4,5], polyimides [6], precursors of polyacrylonitrile fibers, polyurethanes. …
