Dr. Alexey Lyulin performs Multiscale Simulations of Polymer Dynamics at the Soft Matter and Biological Physics research group

The emphasis in Dr. Alexey Lyulin's research is on atomic-scale modeling of macromolecules, including glasses, dendrimers, polymer nanocomposites and thin polymer films. But the main focus is - of course - on polymer dynamics and mechanics. The fundamental insight generated by the multiscale computer simulations of Lyulin and his co-workers will help in developing new materials with improved ultimate properties. They apply their multi-scale computational approach for the study of glass transition and mechanical properties of amorphous polymers in a bulk and in thin films; Stability and toxicity of complexes of charged dendrimers and hyperbranched polymers with applications in linear polyelectrolytes and drugs for biomedical applications; Non-newtonian rheology of linear and hyperbranched polymers in hydrodynamic flows; and Microstructure and macromechanics of polymer nanocomposites. The Lyulin group aims at developing a long-standing research program in Eindhoven for multi-scale computer simulations (from macro scale to nanoscale, in time and space) of polymer dynamics and mechanics.

The group is an important part of the Center for Computational Energy Research (CCER).