Computer-based research offered to B.Sc., Mgr. and PhD students and to postdocs
Project supervisor: Prof. Karel Procházka
Computer-based simulations aimed at the elucidation and molecular interpretation of phase equilibria and the conformational behavior of frustrated polymers under confinement, and at the understanding of the self-assembly and co-assembly of polymer systems
The project (suitable for the research of several students of all stages and also for postdocs) assumes systematic computer studies of complex polymer systems investigated by experimentalists in our and in other cooperating groups (listed in the project above). Simulation methods will comprise (i) coarse-grained molecular dynamics, particularly the dissipative particle dynamics (DPD) and lattice Monte Carlo (MC) simulations. Special attention will be paid to the behavior of polymers and to their association at interfaces and in confined media. Results of simulations will be compared with experimental data and used for their interpretation at the molecular level.
The electrostatic co-assembly in non-stoichiometric aqueous mixtures of copolymers composed of one neutral water-soluble and one polyelectrolyte (either positively or negatively charged) block: a dissipative particle dynamics study
