|Phone:||+49 711 685-63594|
|Fax:||+49 711 685-63658|
|Email:||Florian.Ruehle _at_ icp.uni-stuttgart.de|
Institute for Computational Physics
Recently, an algorithm has been developed to numerically solve Molecular Dynamics with a modified version of the Maxwell Equations. The big advantage of this method is that it is solved locally and without explicit particle-particle interactions. This provides an easy way to parallelize the calculations and leads to a linear complexity in computing time.
My interest of research is to expand that algorithm so it is able to deal with spatially varying dielectric permittivity within the simulation. When it comes to simulating polymers in salt water, this would provide an easier way than actually simulating every water and salt molecule and a more realistic way than assuming the salt to be distributed equally within the water solution.