Author name: susana

MultiXscale and the ICP Stuttgart invite you to the 2026 ESPResSo summer school “Studying dynamics in soft matter and porous materials”, taking place on October 5-9, 2026 in Stuttgart, Germany. Attendance is free of charge. The call for poster abstracts is open until September 25, 2026. More information available here

MultiXscale CoE will be actively contributing to EuroHPC User Days 2026, taking place from 22–24 September 2026 in Dublin (Ireland) bringing together the European HPC community. As part of the event programme, MultiXscale experts will participate in an interactive session, deliver a hands-on showcase of EESSI and present a poster. The interactive session will provide an opportunity for participants to engage directly with MultiXscale experts, explore the challenges and opportunities in scaling HPC workflows, and discuss approaches for improving access to advanced computing environments. Through open discussions and practical examples, attendees will gain insights into how modern HPC software ecosystems can support researchers and communities across Europe. Join us at EuroHPC User Days 2026 to discover how MultiXscale and EESSI are helping shape the future of HPC.

MultiXscale experts Matteo Zanfrognini and Antonio Sciarappa (Leonardo) will give “An introduction to the lattice Boltzmann method for industrial applications” (and hands-on session as part of it) during the CFD parschool, from July 12 to 17 2026, in Gran Sasso Science Institute, L’Aquila (Italy). More information about the event available here.

ESPResSo 5.0.1 is a bugfix release for the 5.0 line, providing corrections that improve reliability and accuracy. While the user interface remains unchanged from version 5.0.0, several issues affecting simulation results have been resolved. The update includes numerous bug fixes across core features such as electrokinetics and boundary conditions, along with performance and documentation improvements. Useful links:https://espressomd.org/wordpress/news/https://github.com/espressomd/espresso/releases/tag/5.0.1

By Rodrigo Bartolomeu At the Joint Laboratory for Extreme-Scale Computing (JLESC) workshop, which comprises members from INRIA, the University of Illinois, Argonne National Laboratory, the Barcelona Supercomputing Centre, the Jülich Supercomputing Centre and the RIKEN Center for Computational Science, our partners at Forschungszentrum Jülich presented the latest developments in the performance-portable electrostatics library, at JLESC 18th Workshop, from 19 to 21 May 2026. The specialised audience of researchers and software developers shared common interests, focusing on performance tools, programming languages and advanced architectures. Our poster presented a library ready for Exascale computing that implements the Particle–Particle–Particle–Mesh (P3M) and Ewald summation methods within a single source code base. Building on the Kokkos programming model enables the library to abstract away memory layout and execution details, allowing the same kernels to run efficiently on CPUs and GPUs from NVIDIA and AMD. It uses Cabana for cache-friendly particle data structures and HeFFTe for scalable, architecture-aware FFTs. A key design principle is modularity: short- and long-range solvers are expressed as independent computational partitions. On systems that support heterogeneous partitioning, users can assign distinct resources to each partition to achieve better load balancing and overall throughput. Preliminary benchmarks on the MareNostrum 5 GPU partition nodes demonstrate close to ideal strong scaling up to 128 GPUs for the long-range kernel, while maintaining numerical accuracy. These results demonstrate that a portable implementation can meet the performance demands of Exascale workloads without the need for multiple code bases. Meaningful links: 1- https://www.fz-juelich.de/en/jsc/news/events/2026/18-jlesc-2026 2- https://jlesc.github.io

New Paper available at Nature Communications, volume 17, Article number: 5464 (2026): “Highly disordered nanoporous carbons for enhanced energy storage in supercapacitors”. DOI: 10.1038/s41467-026-71520-x. This study provides clear design principles for creating high-performance nanoporous carbons for supercapacitors. Abstract: There has been a lack of clear principles for designing nanoporous carbons with enhanced performance in supercapacitors due to their structural complexity. Our recent NMR and Raman spectroscopy studies of a series of commercial nanoporous carbons show that carbons with smaller graphene-like domains have higher capacitance. In this study, we demonstrate that low-temperature synthesis provides a promising route for producing highly disordered nanoporous carbons with enhanced gravimetric and volumetric capacitance. NMR spectroscopy measurements provide unique insights by simultaneously probing local structural order and ion adsorption capacities, revealing that carbons with smaller graphene-like domain sizes and higher ion adsorption capacities generally have better capacitive performance. We finally show that the capacitance of a nanoporous carbon can be predicted directly from the NMR spectra of electrolyte-soaked electrodes. Our findings provide a strategy that can be extended to various carbon precursors and synthesis routes for developing energy storage materials with enhanced capacitance. Read the full article here

The recordings of the 3-day EasyBuild + EESSI + Spack tutorial/hackathon are already available on YouTube, watch the videos here. The event was organized in Bologna (Italy) on 19 May 2026 by CINECA in collaboration with MultiXscale and MaX Centres of Excellence. Further details through this link.

Meet our MultiXscale experts in the following sessions at ISC26 Hamburg (Germany): Tutorial: Introduction to EESSI: the European Environment for Scientific Software Installations 22 June 2026, 14:00 to 18:00. Hall X3 – 1st Floor This tutorial aims to address these challenges by introducing the European Environment for Scientific Software Installations (EESSI, pronounced as “easy”), a collaboration between various European HPC sites & industry partners. The goal of EESSI is to provide a shared repository of scientific software installations that can be used on a variety of systems, regardless of which flavor/version of Linux distribution or processor architecture is used, or whether it is a full size HPC cluster, a virtual machine in the cloud, or a personal workstation. We cover the basics of EESSI, different use cases for EESSI, how to add software to EESSI, and highlight some more advanced features. We will also show how to engage with the community and contribute to the project. BoF session: European Environment for Scientific Software Installations (EESSI) 25 June 2026, 9:00 to 10:00, Hall G1 – 2nd Floor In this session, we will briefly present the current status of EESSI, give a quick demo of the user experience, and outline future plans with a view to setting priorities based on attendee feedback. Through a live poll we will foster interaction with attendees and trigger discussions. Questions and suggestions raised by attendees will be taken into account when revising the short term roadmap of EESSI.

The Conference for Research Software Engineering in Germany is a yearly event to foster synergies between scientist who code, domain experts and HPC practitioners. The 6th iteration (deRSE26) was located at the University of Stuttgart and co-organized by a member of the MultiXscale consortium. The event attracted 280 participants and featured 90 posters and 100 talks, workshops, and interactive sessions organised in 5 parallel sessions. A full day was dedicated to HPC, with a 3-hour workshop on the Jülich Benchmarking Environment and a 3-hour HPC Carpentry instructor on-boarding session. We also learned about regional HPC consulting services offered by HPC.nrw and bwRSE4HPC, the commissioning of the Tier-3 BinAC2 cluster to democratize access to HPC in academia, the new FutuRSI institute to support developers of research software, a national initiative at NFDI to catalogue research software and run interactive Jupyter notebooks in the cloud, and the EU-funded EVERSE project to catalogue research software and document their compliance with FAIR principles. We got updates on the multiscale and multiphysics simulation software ESPResSo, waLBerla and TrixiParticles.jl, on HPC workflows with pyiron/Semantikon/APE, and on porting applications to HPC with Coccinelle semantic patching. The event concluded with a guided tour of the Tier-1 HLRS supercomputer facility, where we learned about Cray computers, the upcoming AI Factory HammerHAI, sustainable computing, and how heat generated by the next flagship supercomputer Herder will be captured and redistributed into the University district heating network to reduce its carbon footprint. Many contributions to deRSE26 covered topics that MultiXscale actively engages in, namely porting software to HPC, software marketplaces, and HPC training. National and regional initiatives such as NFDI, FutuRSI, HPC.nrw and bwRSE4HPC show a need in academia to get better access to infrastructure, consulting services and training opportunities for software developers, similar to how National Competence Centres (NCCs) provide HPC and software-related services to industry and academia at the European level. The conference abstracts and slides can be obtained from the event website and the associated Zenodo community. *Group photo taken by Adam Pagan, licensed under CC-BY-4.0. Talk photos by Volodymyr Kushnarenko.