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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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    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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    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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    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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February 16, 2023

First-principles ultrafast exciton dynamics and time-domain spectroscopies: Dark-exciton mediated valley depolarization in monolayer WSe2

Chen, H.-Y., Sangalli, D., Bernardi, M.


February 16, 2023

DADApy: Distance-based analysis of data-manifolds in Python

Glielmo, Aldo; Macocco, Iuri; Doimo, Diego; Carli, Matteo; Zeni, Claudio; Wild, Romina; d'Errico,...


February 16, 2023

Electrical control of spin-polarized topological currents in monolayer WTe2

Garcia, Jose H.;You, Jinxuan; García-Mota, Mónica; Koval, Peter; Ordejón, Pablo; Cuadrado, Ramón;...


February 16, 2023

Stochastic perturbation theory: A prequel to the reptation quantum Monte Carlo method

Baroni, Stefano


February 16, 2023

Growing borophene on metal substrates: A theoretical study of the role of oxygen on Al(111)

Safari, Mandana; Vesselli, Erik; De Gironcoli, Stefano; Baroni, Stefano


February 16, 2023

Reconstruction of Zigzag Graphene Edges: Energetics, Kinetics, and Residual Defects

Polynskaya, Yulia G; Lebedeva, Irina V.; Knizhnik, Andrey A.; Popov, Andrey M.


February 16, 2023

Thermodynamics and dielectric response of BaTiO3 by data-driven modeling

Gigli, Lorenzo; Veit, Max; Kotiuga, Michele; Pizzi, Giovanni; Marzari, Nicola; Ceriotti, Michele


February 16, 2023

OSSCAR, an open platform for collaborative development of computational tools for education in science

Du, Dou; Baird, Taylor J.; Bonella, Sara; Pizzi, Giovanni


February 16, 2023

Effect of uniaxial strain on the excitonic properties of monolayer C3 N: A symmetry-based analysis

Zanfrognini M.; Spallanzani, Nicola;Bonacci, Miki; Molinari, Elisa; Ruini, Alice; Caldas, Marilia J...


February 16, 2023

Leonardo

Leonardo Leonardo SpA is an aerospace company which, engaging in a plan of sustainable...


February 16, 2023

SiPearl

SiPearl SiPearl is the European Company designing, producing and selling the first HPC...


February 16, 2023

ATOS

ATOS ATOS brings expertise in designing, building, testing, and deploying pre-exascale and exascale...


February 16, 2023

IJS: Jožef Stefan Institute

Jožef Stefan Institute IJS (Jožef Stefan Institute) is the leading Slovenian scientific research...


February 16, 2023

IT4I: IT4Innovations National Supercomputing Center

IT4Innovations National Supercomputing Center IT4I@VSB will lead WP4. There, it will bring the...


February 16, 2023

Forschungszentrum Jülich

Forschungszentrum Jülich FZJ has a two-fold role within the consortium. On the one hand, the group...


February 16, 2023

Universität Bremen

Universität Bremen UBREMEN brings to the consortium a strong scientific expertise in the...


January 23, 2023

CINECA & ADMIRE's event on SPACK

CINECA&ADMIRE's event on SPACK ( https://spack.io ), on February 13 th (full day) and 14 th (...


January 13, 2023

MaX 2018-2021

The MaX project (H2020 grant agreement n. 824143) finished on September 30, 2022. Former Partners...


January 13, 2023

21st International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods

MaX partners are attending the " 21st International Workshop on Computational Physics and Materials...


December 23, 2022

MaX Kick-off Meeting | February 21 and 22, 2023 | Modena (IT)

A new MaX is starting Let us meet on February 21 and 22 in Modena (IT) to officially start working...


December 21, 2022

Kick-off Meeting February 2023

A new era of MaX is starting. MaX Kick-off meeting will be held soon in the AGO Modena Fabbriche...


December 14, 2022

First report on software architecture and implementation plan Re-submitted version


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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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