MAterials design at the eXascale

Copyright @unsplash

The MAterials design at eXascale (MaX) centre of excellence 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.

Materials are crucial to scientific and technological change and industrial competitiveness, as well as to tackle key societal challenges – from energy and environment, to health care, information and communications, industrial processes and manufacturing, safety and transportation.

The increasingly high accuracy and predictive power of computer simulations, combined with the progressively higher levels of computing and storage capacity of HPC technologies, nowadays enables a paradigm shift in materials design and discovery, in which more and more complex material behaviour will be addressed by easily accessible, interdisciplinary and easy-to-use computational experiments.

To drive this transition, MaX focuses on creating an ecosystem of capabilities, software applications and data workflows and analysis on HPC-oriented material simulations, designed for present and future HPC architectures. A major effort is on providing training and services for the broader HPC industrial and academic community.

Over the next decade HPC systems are expected to be capable of one exaflop (1018 operations per second) and to manage and analyse data sets up to one exabyte (1018 bytes). Imagine a future in which computer simulations are at least 1000 times faster and more workable: new materials, new ideas, new applications will be pushed ahead by an ever-increasing number of scientists, designers and entrepreneurs.

Latest MaX News

FocusCoE at EuroHPC Summit Week 2022

With the support of the FocusCoE project, almost all European HPC Centres of Excellence (CoEs) participated once again in the EuroHPC Summit Week (EHPCSW) this year in Paris, France: the first EHPCSW in person since 2019’s event in Poland.

>> Read More

Looking for news on all CoEs? Visit the >> CoE news page

MaX on Twitter