MaX Centre of Excellence

Driving Innovation in Materials Science

MaX Centre of Excellence leads advanced research in materials science using cutting-edge high-performance computing
Advanced Computational Tools

Pioneering software and simulations empower scientists to model, predict, and design novel materials at the atomic level
Exascale and High-Throughput Computing

MaX harnesses exascale and high-throughput computing to accelerate materials discovery and scientific breakthroughs
Shaping the Future of Materials Research

Data-driven insights and HPC empower researchers to explore new frontiers in materials science and technology
Collaborating Across Europe

Strong partnerships with universities, research centers, and industry drive innovation and knowledge exchange throughout the EU
From Discovery to Sustainable Technology

Cutting-edge simulations transform scientific insights into real-world applications, fostering sustainable and practical innovations

MaX (Materials design at the eXascale) Centre of Excellence is a leading European research initiative that drives innovation in materials science through cutting-edge high-performance computing (HPC), high-throughput computing (HTC), and advanced data analytics. As a European Centre of Excellence, MaX empowers researchers to perform materials modeling, simulations, and discovery at the forefront of scientific computation, enabling breakthroughs that were previously unattainable.

SOFTWARE & DATA

Discover MaX Software and Computational Solutions.

IMPACT

Explore MaX Legacy and Its Impact on Materials Science.

TRAINING

Enhance Your Skills with MaX Training Programme.

News

Electron–phonon coupling and symmetry breaking in superconducting oxide interfaces

14 September 2026

Researchers reveal how inversion symmetry breaking and tunable localized polar phonons correlate with superconductivity, providing evidence that lattice dynamics and strong electron–phonon coupling may contribute

MaX training impact: expanding expertise, participation and collaboration in computational research

10 September 2026

Between 2023 and 2026, MaX training activities reached more than 1,100 researchers worldwide, combining in-person courses, online sessions and hackathons to foster expertise in advanced

MaX updates its Training Booklet with activities from 2023–2026

9 September 2026

MaX has published a new edition of its Training Booklet, now extended to cover the period 2023–2026. The updated publication includes the most recent MaX

MaX joins EuroHPC User Days 2026 in Dublin

8 September 2026

MaX will participate in the EuroHPC User Days 2026, taking place in Dublin, Ireland, from 22 to 24 September 2026. The event will bring together

Phonon-assisted optical processes in cubic boron nitride

4 September 2026

First-principles many-body calculations show that phonon-mediated transitions are essential to describe light absorption and emission in cubic boron nitride, providing a more consistent interpretation of

Controlling heat flow in ultrathin semiconductors at room temperature

18 August 2026

MaX researchers have identified a room-temperature heat-transport regime in ultrathin semiconductors, where hydrodynamic phonon flow and thermoelastic effects combine to reduce thermal diffusivity. The findings