Materials design at the eXascale
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MaX-3 enables materials modelling, simulations, discovery and design at the frontiers of the current and future High Performance Computing (HPC), High Throughput Computing (HTC) and data analytics technologies. We enable quantum materials discovery and design for frontier science and industrial innovation.
Materials are crucial to scientific and technological advances, to industrial competitiveness, and to tackling key societal challenges – from energy and environment to health care, information and communications, manufacturing, safety and transportation. MaX is on a mission to develop technologies and make them available for a large and growing base of researchers in the materials domain. Our challenge lies in redesigning community codes for quantum mechanical materials simulations and the data ecosystem to take full advantage of the new, disruptive computational power.
Our goals:
- Bringing the most successful and widely used open-source, community codes in quantum simulations of materials towards exascale and extreme scaling performance.
- Enabling the convergence of HPC and HTC with data analytics to improve materials research and innovation.
- Promoting co-design activities and ensuring that future HPC architectures are well-suited for materials domain applications and vice versa.
- Engaging academic and industrial communities by offering professional trainings, and supporting code users and developers by providing workflows and turn-key solutions.
Partners
In its third phase, MaX gathers 14 partner institutes and 2 affiliated entities distributed across six European countries: Italy, France, Spain, Slovenia, Czech Republic, and Germany.
Funding
MaX – Materials design at the eXascale has received funding from the European High Performance Computing Joint Undertaking and Participating Countries in Project (Czechia, France, Germany, Italy, Slovenia and Spain) under grant agreement no. 101093374.
Runtime: 01/2023 - 12/2026
