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
A list of innovations by the HPC Centres of Excellence, as spotted by the EU innovation radar
The challenge in this industry cooperation with Bosch and Marvel NCCR was to find new candidate materials for next generation batteries.
The two HPC centres of excellence EXCELLERAT and MAX will participate at the 36th edition of the International CAE conference 2020, that will be held online from 30th November until 3rd December 2020.
MaX on Twitter
"Materials Design Toward the #Exascale: Porting Electronic Structure Community Codes to #GPUs" @AndreaFerretti & Ivan Carnimeo @QuantumESPRESSO presenting last advances on the porting of MaX Flags...Read More
.@QuantumESPRESSO, MaX flagship code, is once again cited in the #NVIDIA keynote speech at #GTC21. Congratulations!Read More
The Hands-on Tutorial "All electron #DFT with #Fleur @fz_juelich" started this morning! Participants are joining the virtual lecture hall in @gather_town 🧑💻👩💻 https://t.co/k7vK4acSV...Read More