Projektnummer

0050213

Zusammenfassung

The authors plan to develop new efficient simulation methods for studying the dynamics of charged macromolecules in salt solutions, taking full account of the electrostatic and the hydrodynamic interactions in a variety of new ways. The newly developed methods for computing the electrostatic interactions should be able to handle the problem of a locally varying dielectric constant as it happens for example for the dielectric contrast between a wall and the solvent. The different methods will be compared to each other with respect to their accuracy and speed by applying them to simple p...