Book of Abstracts of the 2023 ESPResSo Summer School

The ESPResSo summer school is a CECAM flagship school organized every year by the Institute for Computational Physics at the University of Stuttgart to train students and scientists in simulation software for soft matter physics and foster synergies between simulation experts and experimentalists. The 2023 edition focused on energy materials. The event attracted 77 attendees (46 on-site, 31 online) and featured 20 talks and 8 posters. Lectures introduced the audience to particle-based simulations, long-range solvers for electrostatics, energy materials used in batteries and supercapacitors, simulation data storage and post-processing, and continuum methods, with a focus on the lattice-Boltzmann method. In hands-on sessions, participants learned to use ESPResSo and its waLBerla interface to model coarse-grained particle-based systems (polymer diffusion, electrolytic capacitors, pH titration), particle-fluid interactions at the mesoscale (sedimentation dynamics), and solvent-solute interaction at the continuum level (diffusion-advection-reaction methods). Field experts shared their experience in catalysis and reactive force fields, modeling supercapacitors and electrodes, leveraging machine-learned inter-atomic potentials, studying ferrofluids, and deploying scientific software via EESSI.

The conference contributions have been collected into this book of abstracts. The talk slides can be obtained from the event website in the “Documents” tab, and recorded lectures are available on the YouTube channel ESPResSo Simulation Package.