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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.

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    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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    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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October 7, 2019

AiiDA Mini Coding Week

Event: AiiDA Mini Coding Week Where: Lausanne (CH) Who (in-charge): G. Pizzi What: Workshop When:...


October 7, 2019

Material Science codes on innovative HPC architectures: targeting exascale

Event: Material Science codes on innovative HPC architectures: targeting exascale [ info ] Where:...


October 7, 2019

AiiDA Second Coding Week

Event: AiiDA Second Coding Week [ info] Where: Leukerbad (CH) Who (in-charge): What: Workshop When...


October 7, 2019

Electronic Structure Library Coding Workshop: Drivers

Event: Electronic Structure Library Coding Workshop: Drivers [ info ] Where: Trieste (IT) Who (in-...


October 7, 2019

AiiDA tutorial

Event: AiiDA tutorial [ info ] Where: NCCR-Marvel (CH) Who (in-charge): N. Marzari What: When: 29-...


October 7, 2019

MaX-Siesta school on efficient DFT calculations using atomic orbitals

Event: MaX-Siesta school on efficient DFT calculations using atomic orbitals [ info ] Where:...


October 7, 2019

All electron DFT with FLEUR – a Hands-on Tutorial

Event: All electron DFT with FLEUR – a Hands-on Tutorial [ info ] Where: Forschungszentrum Juelich...


October 7, 2019

Advanced computing of excited state properties in solids and nanostructures with Yambo

Event: Advanced computing of excited state properties in solids and nanostructures with Yambo [...


October 7, 2019

MARVEL-MaX meeting and advanced AiiDA tutorial

Event: MARVEL-MaX meeting and advanced AiiDA tutorial [ info ] Where: NCCR-Marvel (CH) Who (in-...


October 7, 2019

Advanced Workshop on High-Performance & High-Throughput Materials Simulations using QUANTUM ESPRESSO

Event: Advanced Workshop on High-Performance & High-Throughput Materials Simulations using...


October 7, 2019

18th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods

Event: 18th International Workshop on Computational Physics and Materials Science: Total Energy and...


October 7, 2019

AiiDA coding week

Event: AiiDA coding week [ info ] Where: Leysin (CH) Who (in-charge): What: When: 5-9 December 2016


October 7, 2019

Prace-MaX training event. Materials Science codes on Innovative HPC architectures: targeting Exascale

Event: PRACE-MaX training event. Materials Science codes on Innovative HPC architectures: targeting...


October 7, 2019

TBTrams AND Tran Siesta Tutorial: Non-Equilibrium Green Functions from Tight Binding to Self-Consistency

Event: TBTrams AND Tran Siesta Tutorial: Non-Equilibrium Green Functions from Tight Binding to Self...


October 7, 2019

School on Parallel Programming and Parallel Architecture for HPC

Event: School on Parallel Programming and Parallel Architecture for HPC [ info ] Where: Trieste (IT...


October 7, 2019

CECAM/Psi-k/CCP9 Graduate School

Event: CECAM/Psi-k/CCP9 Graduate School [ info ] Where: CECAM-UK-HARTREE (UK) Who (in-charge): What...


October 7, 2019

Multiscale Computational Modeling of Materials for Energy Applications

Event: Multiscale Computational Modeling of Materials for Energy Applications [ info ] Where:...


October 7, 2019

Marvel/MaX tutorial on high-throughput computations: general methods and applications using AiiDA

Event: Marvel/MaX tutorial on high-throughput computations: general methods and applications using...


October 7, 2019

CECAM School “Path Integral Quantum Mechanics: Theory, Simulation and Application”

Event: CECAM School “Path Integral Quantum Mechanics: Theory, Simulation and Application” [ info ]...


October 7, 2019

The PRACE Spring School 2016 and E-CAM Tutorial on Molecular and Atomic Modelling

Event: The PRACE Spring School 2016 and E-CAM Tutorial on Molecular and Atomic Modelling [ info ]...


October 7, 2019

Parallel I/O and management of large scientific data @CINECA

Event: Parallel I/O and management of large scientific data @CINECA [ info ] Where: Roma (IT) Who (...


October 7, 2019

Peter H. Dederichs


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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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