MAterials design at the eXascale
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
Mitigating the Impacts of Climate Change: How EU HPC Centres of Excellence Are Meeting the Challenge
In this article, you can learn how the EU HPC Centres of Excellence are mitigating the impacts of climate change.
On March 2, 2022 FocusCoE hosted Intel for a workshop introducing the oneAPI development environment. In all, over 40 researchers representing the EU HPC Centres of Excellence (CoEs) were able to attend the single day workshop to gain an overview of OneAPI.
MaX on Twitter
🇪🇺Leading the way in European #supercomputing: the newly-released info pack on @CORDIS_EU shows 9 selected @EuroHPC_JU projects that promote #greencomputing & contribute to the technological...Read More
Kudos to the @nccr_marvel team, led by @nicola_marzari (MaX member), for winning the inaugural @PRACE_RI award for their work on "Two-dimensional materials from high-throughput computational exfoliati...Read More
The 7.1 version of @QuantumESPRESSO is now available for download. The complete release notes can be found inside the Doc directory of the new release⤵ #HPC #MaterialsScience https://t.co/i6DjefLwZ...Read More