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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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    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.

    Data at MaX

    Data at MaX

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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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    Help Desk

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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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    • Training materials
      • Open Online courses and videolectures
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July 3, 2019

Density-functional perturbation theory: response functions, phonoms and all that. Density-functional perturbation theory goes time-dependent. Computer simulation of thermally activated processes with QUANTUM ESPRESSO

Event: Density-functional perturbation theory: response functions, phonoms and all that. Density-...


July 2, 2019

Vacancy Request


July 1, 2019

Ab initio modelling in solid state chemistry in Crystal Developers

Event: Ab initio modelling in solid-state chemistry in Crystal Developers [ info ] Where: London...


July 1, 2019

Organisation

M A X Structure Director: Elisa Molinari | CNR - Unimore | IT General Assembly The main governing...


June 27, 2019

Training through research in the MaX labs

MaX offers specific training by hosting in its labs' industrial researchers, academic researchers...


June 27, 2019

Open Online courses and videolectures

One of the featured tasks of MaX is to offer to students and researchers a certain amount of online...


June 27, 2019

Training material related to the MaX flagship codes

Here are the training material related to the schools dedicated to the MaX flagship codes: Electronic structure calculations using plane waves Lecture notes and tutorials of QE schools: http://www.quantum-espresso.org/resources/tutorials Lectures from the High-Performance & High-Throughput Materials Simulations using Quantum ESPRESSO and AiiDA - ICTP Trieste (2017) Efficient density-functional calculations with atomic orbitals Lecture notes and tutorials of Siesta schools: https://departments.icmab.es/leem/SIESTA_MATERIAL/Docs/Tutorials/index.html Full Potential Linearized Augmented Plane Wave Method: A DFT all-electron method All electron DFT with Fleur - a Hands-on Tutorial (2021): lecture videos and materials , hands-on material . Lecture notes . Fleur schools: notes and tutorials . Many Body Perturbation Theory A series of video lectures recorded during recent school sessions can be found in the Lhumos platform . Past video lectures can be found in the Yambo YouTube channel . Lecture notes on MBPT, including theoretical background on Quasi particle correction (GW) and absorption spectroscopy (TDDFT and BSE) can be downloaded at: Lectures . A collection of tutorials and hands-on that can be followed at your own pace are found at: Tutorials . For any question and doubt on the usage of the code you can subscribe to the Yambo Forum . AiiDA lecture notes and tutorials All the tutorial materials: https://aiida-tutorials.readthedocs.io/en/latest/ Tutorial on writing reproducible workflows for computational materials science (2019): lectures videos and materials Materials Cloud Learn section: https://www.materialscloud.org/learn/sections


June 27, 2019

Training materials available online!

Useful materials from the AiiDA tutorial on writing reproducible workflows for computational...


June 27, 2019

One day Blender Course @ Modena (IT)

A one day Blender course is being held today, 27 June 2019, in Modena (IT).


June 26, 2019

Data stewardship

Sharing research data needs to go beyond the simple publication of a research paper. Instead, allowing the sharing of full data and metadata compliant with the FAIR requirements is an essential cornerstone of data stewardship.


June 21, 2019

Training and education

M A X offers integrated training and education in the field of HPC developments and in the...


June 20, 2019

List of MaX Deliverables 2023-2026

MaX Management procedures will target the effective implementation of the work plan and the successful completion of MAX deliverables.


June 19, 2019

MaX_Popup Banner_Dec2018

This is the official MaX CoE (Material designs at the eXascale Centre of Excellence).


June 19, 2019

Prof. Nicola Marzari (EPFL) - MaX KO Meeting: Modena, 13-14 December 2018 - 1st Part


June 19, 2019

Prof. Nicola Marzari (EPFL) - MaX KO Meeting: Modena, 13-14 December 2018 - 2nd Part


June 19, 2019

Prof. Nicola Marzari (EPFL) - MaX KO Meeting: Modena, 13-14 December 2018 - 3rd Part


June 19, 2019

Prof. Elisa Molinari (CNR Nano) - MaX KO Meeting: Modena, 13-14 December 2018 - 1st Part


June 13, 2019

thank-you


June 13, 2019

404


June 13, 2019

MaX Logo

This stores the high-resolution formats of the official MaX logos.


June 13, 2019

MaX European Centre of Excellence (CoE): Leading the path to materials design and beyond Exascale in Europe

This is the MaX Press Release for June 2019. As we share the latest update about the project and MaX involvement on the following events and build synergies: 1st HPC CoE Assembly (21 February, Frankfurt) European Open Science Cloud (EOSC) Hub Week 2019 (10-12 April, Prague) EuroHPC Summit Week 2019 (13-17 May, Poznan PL)


June 13, 2019

Prof. Elisa Molinari (CNR Nano) - MaX KO Meeting: Modena, 13-14 December 2018 - 2nd Part


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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.

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