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    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.

    • Goals
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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

    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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    Container technology for HPC system

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    Services to the Industry

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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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  • Science & MaX

    SCIENCE & MAX

    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.

    Highlights

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    Impact of MAX flagship codes

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    • MaX 2018-2021
  • Software
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  • Exascale
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    • Co-design
    • Performances
    • Separation of concerns
  • Data
    • Fact & Figures
  • Services
    • 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
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October 9, 2019

Industry and Materials Design at the eXascale: bridging the gap

Watch the recorded webinar video now! And, download the webinar presentations below: Electronic...


October 9, 2019

PRACE Autumn school 2019 – Big data and HPC in Ljubljana

PRACE will organize an Autumn School on "Big data and HPC" from September 17 to September 20, 2019...


October 9, 2019

Industry and Materials Design at the eXascale: bridging the gap

Description and scope What is the state of the art in the computational design of materials for...


October 9, 2019

From crystals to glasses: a new unified theory for heat transport

SISSA scientists, in collaboration with colleagues at the University of California at Davis ,...


October 9, 2019

Psi-k Workshop Funding 2020 - 2 days left to submit!

*** FINAL CALL*** There are only 2 days remaining to submit your funding pre-proposals for...


October 9, 2019

Picking flowers: Hands-on FLEUR

From September 9 to 13, 2019 the Forschungszentrum Jülich (DE) will host a tutorial on FLEUR code...


October 9, 2019

MSSC2019

The Department of Chemistry and the Thomas Young Centre at Imperial College London and the...


October 9, 2019

VASP and AiiDA workshop

Oslo, September 23–27 2019. The workshop is arranged by UNINETT Sigma2 and the Norwegian Research...


October 9, 2019

womENcourage 2019: Workshop 2 on “Gendering ICT”

The 6th ACM Celebration of Women in Computing: womENcourage 2019 will be held in Rome, Italy on...


October 9, 2019

ACM Celebration of Women in Computing womENcourage 2019: Workshop on “Data Science for Society”

The “Data Science for Society” workshop will be held on the 3rd day, September 18th, Wednesday, 11:...


October 9, 2019

Max @Graphene Week2019

The Graphene Week 2019 just started in Helsinki (Finland)! MaX Centre of Excellence in...


October 9, 2019

Online Course on DFT with simultaneous hands-on training on MAX codes

A major breakthrough in the field of Computational Materials Physics has been the fact that it is...


October 9, 2019

MaX Report: Challenges ahead for new hardware architectures and shifts in programming paradigm

MaX European Centre of Excellence Deliverable D1.1 Extract: MaX Software Architecture and...


October 9, 2019

Open positions @CINECA

Up to three new job positions have opened for working at HPC Department in CINECA . The candidates...


October 9, 2019

Lead Towards Transition to eXascale Technologies

At the recent Kick-off Meeting, last 13 to 14 of December 2018 in Modena, Italy, marked the launch...


October 9, 2019

A Centre for Molecular Modelling for the development of MaX codes

Prof. Stefaan Cottenier is a professor at the materials science division of the Faculty of...


October 9, 2019

On the path to materials design and beyond eXascale: Prof. Nicola Marzari on MaX

Prof. Nicola Marzari holds the Chair of Theory and Simulation of Materials at EPFL, where he is...


October 9, 2019

Tutorial on writing reproducible workflows for computational materials science @EPFL

When: May 21st, 2019 (9:00) until May 24th, 2019 (13:00) Where: EPFL, Lausanne, Switzerland...


October 8, 2019

CODES@OEHI Hackathon 2019: register now!

The goal of this 2-day hands-on workshop is for current or prospective users of Arm -based HPC...


October 8, 2019

Privacy Policy Full

This website collects some Personal Data from its Users CNR Nano, with registered offices in Via...


October 8, 2019

Nils Wittemeier


October 8, 2019

Corentin Grillet


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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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