Effect of implementations of the N-body problem on the performance and portability across GPU vendors

Rodrigo A.C. Bartolomeu, René Halver, Jan H. Meinke, Godehard Sutmann 

Portable test run of ESPResSo on EuroHPC systems via EESSI

Alan O’Cais, Kenneth Hoste, Jean-Noël Grad, Caspar van Leeuwen, Lara Peeters, Satish Kamath, Thomas Röblitz, Richard Topouchian, Bob Dröge, Pedro Santos Neves, Rudolf Weeber

Preparing to Hit the Ground Running: Adding RISC-V Support to EESSI

Julián Morillo, Caspar Van Leeuwen, Bob Dröge, Kenneth Hoste, Lara Peeters, Thomas Röblitz and Alan O’Cais 

Book of Abstracts of the 2024 ESPResSo Summer School

Jean-Noël Grad (Editor)

pyMBE: The Python-based molecule builder for ESPResSo 

David Beyer, Paola B. Torres, Sebastian P. Pineda, Claudio F. Narambuena, Jean-Noël Grad, Peter Košovan, Pablo M. Blanco

Investigating the effect of particle size distribution and complex exchange dynamics on NMR spectra of ions diffusing in disordered porous carbons through a mesoscopic model

El Hassane Lahrar and Celine Merlet

Book of Abstracts of the 2023 ESPResSo Summer School

Jean-Noël Grad (Editor)