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  • About MaX

    About MAX

    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.

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    SOFTWARE

    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.
     

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    EXASCALE

    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.

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    DATA

    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.

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    SERVICES

    MAX develops and offers services and technical support dedicated to the general public and the expert users from both industry and academia.

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    TRAINING

    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.

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  • About MaX
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    • MaX 2018-2021
  • Software
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  • Exascale
    • Deployments
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    • Co-design
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  • Data
    • Fact & Figures
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    • MaX Container technology for HPC system
    • MaX Help Desk
    • MaX High level consultancy
    • Simulations on premises and in the cloud
    • Turn-key materials solutions
    • Services to the Industry
    • Facts & Figures
    • FAQ
  • Training
    • Training materials
      • Open Online courses and videolectures
      • Presentations
      • Training material related to the MaX flagship codes
    • List of workshops & schools
    • Training through research in the MaX labs
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July 8, 2024

MaX presented at R2B - Research to Business

MaX participates at R2B, the International Exhibition of Research and High Skills for Innovation.


July 4, 2024

MaX sponsoring “Artificial Intelligence for Advanced Materials 2024” (AI4AM2024)

AI4AM2024 brought together experts from industry and research to share solutions in applying Artificial Intelligence for materials science and engineering.


June 26, 2024

MaX at “We Make Future”

MaX participated at the 2024 International Trade Fair and Festival on Innovation “We Make Future”.


June 25, 2024

New Software Release: SIESTA 5.0

MaX lighthouse code SIESTA releases its 5.0 software version.


June 11, 2024

New implementation for GW self-energy evaluation

Researchers combine MPA and W-av methods into an integrated approach, leading to an improvement both in terms of accuracy and speed-up of the GW self-energy evaluation.


June 11, 2024

Magnon-phonon interactions enhance the gap at the Dirac point in the spin-wave spectra of CrI3 two-dimensional magnets

Researchers reveal through ab initio calculations a robust magnon-phonon coupling for vibrational modes in proximity to the Dirac point's magnon gap.


June 11, 2024

Austrian-Slovenian HPC Meeting 2024 - ASHPC24

ASHPC24 brings together scientists and technicians working on supercomputing to discuss various aspects of HPC and HPC-related topics.


May 30, 2024

Highlights from: "The Future of Scientific Computing: A Global Perspective"

Held on May 27, 2024 at the ICTP in Trieste (Italy), the symposium gathered leading scientists, policymakers, and industry experts to discuss how artificial intelligence, high-performance computing (HPC), and quantum computing can help the scientific community tackle key scientific challenges across scientific fields, including climate science, molecular chemistry, and materials science.


May 27, 2024

Origins of spin excitation gap in CrI3 quasi-two-dimensional single crystals unveiled through advanced calculations

By performing first-principles calculations based on time-dependent density functional perturbation theory, a team of researchers show the nature of the observed gap in CrI3 quasi-two-dimensional single crystals.


May 27, 2024

Investigating adsorption behaviours induced by chemical functionality replacement towards electro-galvanised steel corrosion.

Using both experimental and theoretical approaches, a team of researchers presented new insights for rational inhibitor engineering, enabling the realization of tailored corrosion inhibition properties.


May 20, 2024

The Future of Scientific Computing: A Global Perspective

ICTP celebrates its 60th anniversary with an International Symposium to discuss the impact of artificial intelligence, high-performance computing, and quantum computing on scientific discovery.


May 16, 2024

CASTIEL2, EuroCC2, and CoE "All Hands Meeting" (AHM)

Representatives from NCCs, CoEs, and all CASTIEL2 gather in Slovakia.


May 8, 2024

PWTK: a scripting interface for Quantum ESPRESSO

The tutorial on PWTK will be held online between 20-24 May 2024.


May 6, 2024

Andreas Herten


May 6, 2024

Estela Suarez


May 2, 2024

European-Japanese Collaboration in High-Performance Computing Kicks Off with HANAMI Project

The HANAMI project officially kicked off in Paris on April 23.


April 30, 2024

MaX @ High Performance Computing in Science and Engineering 2024

MaX participate at the High Performance Computing in Science and Engineering 2024 conference (HPCSE 2024).


April 30, 2024

MaX @ ISC High Performance 2024

ISC High Performance 2024 will connect public and industry users and technology developers in Hamburg (DE) from May 12 – 16, 2024.


April 2, 2024

"use-case" tutorial about materials modeling on HPC machines

A tutorial organized by MaX and NCC Slovenia. Details will be defined soon!


April 2, 2024

MaX school: materials and molecular modelling with QUANTUM ESPRESSO

MaX school: materials and molecular modelling with Quantum ESPRESSO. An online school organized by...


March 26, 2024

CASTIEL2 Communication workshop

On Friday, 22 March 2024, CASTIEL2 hosted a Communication workshop featuring champions from various European locations.


March 26, 2024

MAX and CoEs drive European supercomputing forward at EuroHPC Summit 2024

Together with fellow Centers of Excellence (CoEs), MAX participated in the EuroHPC Summit week 2024.


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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.

Views and opinions expressed are however those of the author(s) only and do not necessarily reflect those of the European High Performance Computing Joint Undertaking. Neither the European Union nor the granting authority can be held responsible for them.

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