March 25, 2025
MaX Technical Poster 2025
Explore the technical results achieved by the MaX team in the first two years of the project. Download a copy!
March 25, 2025
MaX at the EuroHPC Summit 2025: Advancing Computational Materials Science in the Exascale Era
The EuroHPC Summit 2025 took place from March 18 to 20 at the ICE Congress Centre in Kraków, Poland. The event brought together key European stakeholders in high-performance computing (HPC) and quantum computing, including researchers, industry leaders, policymakers, and technology providers, to network and discuss the current and future challenges offered by the European supercomputing ecosystem.
March 13, 2025
MaX Newsletter #7 - Enabling frontier HPC in the materials domain
Dear Readers, Welcome to the first MaX Newsletter issue of 2025. In this newsletter issue we bring...
March 13, 2025
Boosting collective communications with HPCX-MPI in Quantum ESPRESSO
MaX team achieves a significant performance improvement in the collective communications of Quantum ESPRESSO on the LEONARDO supercomputer by using NVIDIA’s HCOLL library from HPCX-MPI.
February 28, 2025
Stop by MaX poster at the upcoming EuroHPC Summit in Krakow
Connecting HPC, Quantum & AI Communities: MaX Centre of Excellence actively participates in the EuroHPC Summit 2025.
February 26, 2025
School on Machine Learning for Molecules and Materials Research
School on Machine Learning for Molecules and Materials Research.
February 12, 2025
Turning Red into Blue: Closing the Gender gap on Wikipedia
While the presence of women in science has steadily increased over the years, their representation in historical and digital records remains a significant challenge.
February 10, 2025
United to Celebrate Women and Girls in Science: the European Centres of Excellence promote Women’s Talent and Leadership at HiPEAC25
The European Centres of Excellence collectively affirmed their commitment to fostering an inclusive environment in High-Performance Computing and related fields at HiPEAC25, the premier European forum for experts in advanced systems and technology.
February 7, 2025
SIESTA 5.2.2 has been released!
MaX is pleased to announce the release of SIESTA 5.2.2 incorporating new features, improvements, and bug fixes.
February 3, 2025
"Use-case" tutorial about materials modeling on HPC machines
More details about this event will be available soon. Visit this page again for the latest updates.
February 3, 2025
Excited states in complex materials by MBPT methods
Excited states in complex materials by MBPT methods.
January 24, 2025
European Centres of Excellence promote Women’s Expertise and Leadership in HPC at HiPEAC
MaX proudly contributed to the success of HiPEAC by hosting two special workshops on female talent and leadership.
January 17, 2025
MaX sponsor of “Artificial Intelligence for Advanced Materials 2025” (AI4AM2025)
MaX is sponsoring the AI4AM2025 International Conference and invites the materials and computer...
January 14, 2025
An alternative GPU acceleration for a pseudopotential plane-waves density functional theory code with applications to metallic systems
X. Gong and A. Dal Corso
January 14, 2025
The NOMAD mini-apps: A suite of kernels from ab initio electronic structure codes enabling co-design in high-performance computing
I. Mas Magre, R. Grima Torres, J. M. Cela Espín, and J. J. Gutiérrez Moreno
January 14, 2025
Density functional Bogoliubov-de Gennes theory for superconductors implemented in the SIESTA code
R. Reho, N. Wittemeier, A.H. Kole, O. Ordejon, and Z. Zanolli
January 14, 2025
High-temperature and high-pressure thermoelasticity of hcp metals from ab initio quasiharmonic free energy calculations: The beryllium case
X. Gong and A. Dal Corso
December 30, 2024
Have you heard? The ‘Supercomputing in Europe’ podcast is live!
‘Supercomputing in Europe’ brings together voices from across Europe offering their perspectives on the disruptive technologies that are shaping our future.
December 3, 2024
European Centres of Excellence showcase female talent and leadership in HPC at the upcoming HiPEAC conference
HiPEAC gathers professionals from industry, research, and policy to promote R&D in computer architecture and computing systems in Europe.
November 18, 2024
MaX partners gathered in Bremen for their 3rd project meeting
Surrounded by the cultural heritage of Bremen, MaX partners engaged in two intensive days of discussions on deployment, benchmarking, and profiling.