This talk introduces the Ewald sum method and the P3M method for fully periodic systems, followed by the Yeh-Berkowitz and ELC methods for partially periodic systems. Then, advanced methods for planar and curved dielectric interfaces will be presented (ICC* algorithm, ELC-IC method), as well as methods available via the ScaFaCoS library.
CECAM Flagship School “Simulating energy materials with ESPResSo and waLBerla”, October 9–13, 2023, Institute for Computational Physics, University of Stuttgart, Germany.
Credits:
Speaker: Christian Holm
Video editing: Paul Hohenberger
