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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.

    • 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.
     

    Codes

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    Impact of MAX flagship codes

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  • Exascale

    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.

    Programming models

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    Data on demand

    Separation of concerns

    • Programming models
    • Co-design
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    • Separation of concerns
  • 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.

    Data at MaX

    Data at MaX

    Complete archived data

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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.

    MaX Helpdesk

    Help Desk

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    High level consultancy

    Turn-key materials solutions

    Turn-key materials solutions

    MaX Container technology for HPC system

    Container technology for HPC system

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    Simulations on premises and in the cloud

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    Services to the Industry

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    Facts and Figures

    FAQ

    FAQs

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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.

    List of workshops & schools

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      • Quantum Espresso Targeting Accelerators
    • Training through research in the MaX 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

    List of publications

    Impact of MAX flagship codes

    • Highlights
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  • About MaX
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    • Job openings
    • Newsletter
    • Communication
    • News & Events
    • MaX 2018-2021
  • Software
    • Codes
    • Features and algorithms
    • Libraries
    • Workflows
  • Exascale
    • Programming models
    • 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
    • Training through research in the MaX labs
    • Fact & Figures
  • Science & MaX
    • Highlights
    • List of publications
  • Contact us

Search

Home / Search
October 8, 2019

Bogdan Guster


October 8, 2019

Irina Lebedeva


October 8, 2019

Emilio Artacho


October 8, 2019

Stephanie Parker


October 8, 2019

Julie Abergas-Arteza


October 8, 2019

Francesco Osimanti


October 8, 2019

Postdoctoral Position Openings @CNR Nano

Several postdoctoral position openings at CNR Istituto Nanoscienze , Modena (IT), within the frame...


October 7, 2019

Yambo and QE developers meeting. January 14, 2019

Within the MaX framework, On January 14 Yambo and QE developers will meet at CINECA to discuss...


October 7, 2019

AiiDA plugins migration workshop @EPFL, 25-29 March 2019

An AiiDA plugin migration workshop will be held at EPFL Lausanne, Switzerland, aiming at collecting...


October 7, 2019

EMMC free webinar Friday January 18, 2019

Learning opportunity offered by the European Materials Modelling Council (EMMC). Free webinar “...


October 7, 2019

PASC19: deadline for paper submission is approaching!!!

PASC19 is the sixth edition of the PASC Conference series, an international platform for the...


October 7, 2019

Quantum ESPRESSO DEVELOPERS’ MEETING 2019

The 2019 Quantum ESPRESSO developers’ meeting will be held in SISSA , Trieste, on Jan. 7 and 8. The...


October 7, 2019

MaX Kick-off Meeting December 13-14, 2018 – Modena (IT)

Dear MaX Partners, it’s time meet to start the new MaX EU project (n. 824143). We would like to...


October 7, 2019

1st TUMIEE Training School “Training young researchers on multidisciplinary approaches to electronic excitation problems”

Event: 1st TUMIEE Training School “Training young researchers on multidisciplinary approaches to...


October 7, 2019

VASP and AiiDa Workshop

Event: VASP and AiiDa Workshop [ info ] Where: Oslo (NO) Who (in-charge): Leopold Talirz (EPFL, CH...


October 7, 2019

MSSC2019 Summer School

Event: MSSC2019 Summer School [ info ] Where: Imperial College (London, GB) Who (in-charge): Andrea...


October 7, 2019

Summer School on Advanced Materials and Molecular Modelling with QUANTUM ESPRESSO

Training material Gitlab repository of the material for the Summer school Event: Summer School on...


October 7, 2019

Picking flowers: Hands-on FLEUR

Training material Lecture videos and slides Event: Picking flowers: Hands-on FLEUR [ info ] Where:...


October 7, 2019

Tutorial on writing reproducible workflows for computational materials science

Training material Lectures videos and material Event: Tutorial on writing reproducible workflows...


October 7, 2019

Lavoisier discussions on “Quantum Simulation”

Event: Lavoisier discussions on “Quantum Simulation”[ info ] Where: ICN2 (ES) Who (in-charge):...


October 7, 2019

AiiDA plugins migration workshop

Training material Lecture videos Event: AiiDA plugins migration workshop[ info ] Where: Lausanne (...


October 7, 2019

PRACE 15th Advanced School on Parallel Computing

Event: PRACE 15th Advanced School on Parallel Computing [ info ] Where: Bologna (IT) Who (in-charge...


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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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