MAX (MAterials design at the eXascale) is a European Centre of Excellence which 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.
The software developed by MAX is made available to the whole community in open-source form. In this section you can find our main software output and how to obtain it.
Features and algorithms
Impact of MAX flagship codes
MAX addresses the challenges of porting, scaling, and optimising material science application codes for the peta- and exascale platforms in order to deliver best code performance and improve users productivity on the upcoming architectures.
Separation of concerns
MAX is committed in supporting data stewardship by adhering to the FAIR-sharing principles. High-quality data is provided both in the format of curated scientific results and raw data, focusing on the tracking of provenance to ensure the full reproducibility of results.
Data at MaX
Complete archived data
Data on demand
Facts and Figures
MAX develops and offers services and technical support dedicated to the general public and the expert users from both industry and academia.
High level consultancy
Turn-key materials solutions
Container technology for HPC system
Simulations on premises and in the cloud
Services to the Industry
MAX offers integrated training and education in the field of HPC developments and in the computational materials science domain, including workshops and schools, contributions to University courses and training through research in the CoE labs.
List of workshops & schools
Training through research in the MaX labs
MAX codes enable about 3500 publications throughout the globe every year. A selection of the scientific papers produced by the community using the MAX flagship codes can be found in this area. “Highlights” contains the publications produced by MAX consortium members to develop and validate MAX codes towards the exascale (red frame) and a subset of the scientific works produced by the materials science community (gray frame). “Lists of publications” collects selected papers produced by the scientific community at large and using MAX flagship codes.
List of publications
The work at the ICN2 node focuses on using advanced programming tools to turn SIESTA into a lighthouse exascale-oriented application with enhanced scientific capabilities.
An open position for a software engineer/web developer is available at EPFL (Lausanne, Switzerland), under the supervision of Prof. Nicola Marzari and Dr. Giovanni Pizzi.
CECAM invites applications for a position as developer of the CECAM-MARVEL-MaX web repository for training in simulation and modeling.
The Theory and Simulation Group at ICN2 and the[...]
CINECA is looking for 3 researchers to be involved in the SC High Performance Computing for specialized supporting activities and[...]
A post-doctoral position in the field of electronic-structure software development is available at IOM-CNR, Trieste, Italy. The position, funded by the MaX - Materials at the[...]
SISSA, the International School for Advanced Studies in Trieste, in collaboration with the EU MaX Centre of Excellence for Supercomputing[...]
The Theory and Simulation Group develops efficient methods for atomistic simulations in nanostructured systems, which can fully exploit modern computer multiprocessor[...]
Two doctoral/postdoctoral positions are available in the Laboratory for Theory and Simulations of Materials at EPFL in Lausanne, Switzerland, under the supervision of Dr. Giovanni Pizzi and Prof. Nicola Marzari.
Research group: Division of Ultrafast Processes in Materials (FLASHit)
Positions: Three PostDoc positions: 2 for young and 1 for advanced researchers. All positions are for one year, renewable for up to three years.
Where: ISM@Milan Physics University and ISM@CNR-Rome