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.
November 5, 2024
CASTIEL2 "Code of the Month" series with SIESTA
Produced within the framework of CASTIEL2 “Code of the Month” series.
October 31, 2024
MaX showcased at the “SC24 - Supercomputing Conference”
MaX partner IT4Innovations will attend the SC24 - T he International Conference for High Performance Computing, Networking, Storage, and Analysis.
October 28, 2024
Modeling of (nano)materials with Quantum ESPRESSO
Organized by MaX, IJS, SISSA, in collaboration with NCC Croatia, within the framework of the “Croatian HPC Competence Center Day”.
October 28, 2024
Highlights from the Second EuroHPC User Day 2024
An immersive experience, featuring plenaries and parallel sessions, as well as special sessions for users where to discuss best practices, challenges, and the evolving needs of the HPC community.
October 25, 2024
Just released! Performance & Scalability of MaX lighthouse codes
MaX released its Performance and Scalability brochure, gathering the latest results of the MaX lighthouse codes in achieving outstanding performance and scaling on different types of EuroHPC architectures.
October 24, 2024
Performance and Scalability of MaX lighthouse codes
Explore the main features of the MaX lighthouse codes. Download a copy!
October 9, 2024
Thermal transport of glasses via machine learning driven simulations
P. Pegolo and F. Grasselli
October 9, 2024
Quantum ESPRESSO towards performance portability: GPU offload with OpenMP
F. Ferrari Ruffino, L. Bellentani, G. Rossi, F. Affinito, S. Baroni, O. Baseggio, P. Delugas, P...
October 8, 2024
Advancing heat transport theory and numerical simulations in glasses
A team of researchers explores the influence of the infrared singularity in the harmonic theory of heat conduction in glassy materials and explains the nuanced effectiveness of the Allen-Feldman theory.
October 7, 2024
Co-designing ab initio electronic structure methods on a RISC-V vector architecture
R. Grima Torres, P. Vizcaíno, F. Mantovani, and J. J. Gutiérrez Moreno
October 7, 2024
Ab initio quasi-harmonic thermoelasticity of molybdenum at high temperature and pressure
X. Gong and A. Del Corso
October 7, 2024
Pressure and temperature dependent ab-initio quasi-harmonic thermoelastic properties of tungsten
X. Gong and A. Del Corso
October 7, 2024
Evidence of ferroelectric features in low-density supercooled water from ab initio deep neural-network simulations
C. Malosso, N. Manko, M. G. Izzo, S. Baroni, and A. Hassanali
October 7, 2024
Seebeck Coefficient of Ionic Conductors from Bayesian Regression Analysis
E. Drigo, S. Baroni, and P. Pegolo