MaX joined the CASTIEL2 Communications Workshop at BSC, promoting effective HPC communication and collaboration among CoEs and NCCs across Europe.| www.max-centre.eu
New MaX GPU strategy speeds up plane-waves DFT for metals with dense k-point sampling, improving simulations for small-unit-cell systems.| www.max-centre.eu
The novel SIESTA-BdG method enables accurate and efficient simulations of superconducting materials by integrating BdG formalism into the SIESTA DFT code. It supports complex systems and device simulations, making it a key tool for superconductivity and quantum technology research.| www.max-centre.eu
Between 2-5 June, 2025, MaX Centre of Excellence co-organized the Advanced SIESTA Workshop in Barcelona, bringing together researchers and experts to explore machine learning, high-performance computing, and emerging applications in density functional theory.| www.max-centre.eu
SIESTA is a first-principles materials simulation program based on density-functional theory (DFT). It was one of the first codes to enable the treatment of large systems with first-principles electronic-structure methods, which opened up new research avenues in many disciplines.| www.max-centre.eu
MaX Centre of Excellence (MaX CoE) is pleased to announce an upcoming webinar introducing two significant platforms that support the advancement of computational materials science.| www.max-centre.eu
This year marks the 30th anniversary of the SIESTA project. To commemorate the occasion, a surprise celebration was organized during the SIESTA Advanced Workshop, paying tribute to the project’s origins and its founding members.| www.max-centre.eu
A. Fiorentino, P. Pegolo, and S. Baroni , Hydrodynamic finite-size scaling of the thermal conductivity in glasses, npj Computational Materials 9,157 (2023) | www.max-centre.eu
SIESTA 5.2.2 was successfully adapted for ARM processors during the EPICURE HPC Hackathon in Braga, Portugal. Tested on the DEUCALION supercomputer, it now runs efficiently on ARM and is included in the EESSI software stack. With an EasyBuild recipe and automated benchmarking using JUBE, SIESTA is more accessible, consistent, and ready for future HPC platforms.| www.max-centre.eu