May 5, 2025
“Voices of MaX” brings High-Performance Computing to the public
MaX Centre of Excellence (CoE) launches a new podcast series titled “Voices of MaX” , designed to...
April 28, 2025
High-pressure and high-temperature thermoelasticity of tantalum: An ab initio study
X. Gong and A. Dal Corso
April 28, 2025
Graph2Mat: universal graph to matrix conversion for electron density prediction
P. Febrer, P. B. Jørgensen, M. Pruneda, A. Garcia, and A. Bhowmik
April 28, 2025
Glassy dynamics in a glass-forming liquid: A first-principles study of toluene
F. Pabst and S. Baroni
April 28, 2025
Transport coefficients from equilibrium molecular dynamics
P. Pegolo, F. Grasselli and S. Baroni
April 25, 2025
Inspiring the next generation: Girls in ICT Day 2025
Each year, Girls in ICT Day - celebrated on the fourth Thursday of April - encourages young women...
April 10, 2025
MaX Silver Sponsor of AI4AM2025: Advancing AI Applications in Materials Science
MaX Centre of Excellence was proud to be a Silver Sponsor of the Artificial Intelligence for Advanced Materials 2025 (AI4AM2025) conference, which took place from 8 to 10 April 2025 in San Sebastián, Spain. This international event brought together leading experts from industry and academia who are leveraging Artificial Intelligence (AI) to enhance materials research and innovation.
April 3, 2025
A Case Study of 64-bit Floating Point Emulation in QuantumESPRESSO
On 3 April 2025, Massimiliano Fatica, Director at NVIDIA, delivered a seminar at the MHPC Lecture Hall in Trieste to discuss the impact of evolving computer architectures on scientific computing, particularly in the context of AI-driven advancements in reduced- and mixed-precision computing.
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.