SC²S Colloquium - Mai 19, 2011
|Date:||Mai 19, 2011|
|Time:||15:00 pm, s.t.|
Johannes Weißl: Development of an efficient method for the simulation of molecular long-range interactions (MA)
The Molecular Dynamics simulation "MarDyn" currently only calculates short-range interactions between particles. To more precisely simulate potentials which take effect over long distances, two well known algorithms were selected (FMM and Barnes-Hut). They have to be adapted to our MD-setting and compared for accuracy and efficiency.