ESPResSo is a free, open-source software package for simulations of soft-matter systems, which is co-developed and used in the working group for most of its research.
ESPResSo is capable of doing classical Molecular dynamics simulations of many types of systems in different statistical ensembles (NVE, NVT, NPT). It contains many advanced simulation algorithms like Lattice-Boltzmann, electrostatics, electrokinetics, dipolar interactions, electrophoresis, catalytic reactions and many more. ESPResSo is controlled via Python scripts, which gives it a great flexibility.
Besides doing the regular research on different physical systems, the working group is constantly trying to improve and extend the ESPResSo software. The developement follows continuous integration practice and is active on github.
Algorithms for Long Range Interactions
A potential is defined to be short ranged if it decreases with distance quicker or similar than where is the dimensionality of the system. Electrostatic, gravitatory and dipolar interactions, present in many physical systems, are examples of long range interactions. When long range intgeractions are present in a system, the weight of the interactions comming from far particles is non negligible