Material simulation with ESPResSO
Speakers: Jean-Noël Grad, Rudolf Weeber (U. Stuttgart)
ESPResSo is an open-source simulation package for coarse-grained models that combines particle- and lattice-based approaches. It is used in soft matter science, biological physics, and process engineering. The speakers demonstrare rhe software’s capabilities through examples such as bacterial growth in porous media, DNA translocation, and the charging dynamics of supercapacitors. A key feature is the ability to control and customize the simulation process via a Python interface, enabling integration with other scientific tools. Finally, they discuss future developments, including machine-learned potentials, scalability, and performance.