- Group Name:
- Project A06: Coarse-grained models for dynamically asymmetric liquid mixtures under non-equilibrium conditions
- URL Slug:
- project-a06-coarse-grained-models-for-dynamically-asymmetric-liquid-mixtures-under-non-equilibrium
- Description:
- The 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.
- Parent Group: