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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.

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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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    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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April 2, 2021

Materials Cloud is a recognized data repository of Open Research Europe

MaX is pleased to inform that Materials Cloud is suggested as " stable and recognised open...


March 31, 2021

Time-dependent screening explains the ultrafast excitonic signal rise in 2D semiconductors

V. Smejkal, F. Libisch, A. Molina-Sanchez, L. Wirtz, and A. Marini


March 31, 2021

Narrowing of d bands of FeCo layers intercalated under graphene

D. Pacilè, C. Cardoso, G. Avvisati, I. Vobornik, C. Mariani, D. A. Leon, P. Bonfà, D. Varsano, A...


March 29, 2021

CNR Nano researchers mix Fe and Co in a new artificial 2D layer

The combination of graphene, a prototypical bidimensional material, with ferromagnets is a rich...


March 23, 2021

Localized electronic vacancy level and its effect on the properties of doped manganites

Oxygen vacancies are common to most metal oxides and usually play a crucial role in determining the...


March 23, 2021

Evidence of ideal excitonic insulator in bulk MoS2 under pressure

Spontaneous condensation of excitons is a long-sought phenomenon analogous to the condensation of...


March 22, 2021

March 2021 Newsletter

Join us in the upcoming events of the HPC community and visit the new section of our website


March 22, 2021

March 2021 Newsletter

Join us in the upcoming events of the HPC community and visit the new section of our website


March 18, 2021

Job opportunity @ EPFL

CECAM invites applications for a position as developer of the CECAM-MARVEL-MaX web repository for training in simulation and modeling.


March 18, 2021

News on MaX codes

GPUs, portability and refactoring: these are important keywords of this second phase of MaX. Find in this article some main news on the work of the developers of the MaX flagship codes.


March 17, 2021

News from Europe and its supercomputing strategy

A lot is happening on the side of European supercomputing: the EU and participant states are planning the evolution of the EuroHPC Joint Undertaking , while the acquisition of the first pre-exascale and petascale machines is proceeding.


March 17, 2021

MaX at Nvidia GTC 2021

On April 14th MaX will hold an invited session at GTC2021 , the NVIDIA’s spring conference. Its contribution will discuss the performance and portability of MaX flagship codes with a special focus on GPU accelerators. Registration is free and required: join us!


March 17, 2021

Highlights from last winter gatherings of MaX code developers

To discuss and plan the evolution of flagship codes and domain specific libraries, MaX regularly organizes technical meetings bringing together long-standing developers of the codes and newcomers. Read here news from the last winter’s online gatherings for Quantum ESPRESSO and Yambo codes.


March 17, 2021

MaX Workshop at the EuroHPC Summit Week 2021

MaX will participate in the EuroHPC Summit Week 2021 online edition. The Centre of Excellence will hold a 1-hour workshop on “Computational Materials Design at the Exascale: porting community codes, challenges and success cases”. See the program here , register here and join us on March 24th, 3-4 PM.


March 11, 2021

Solution to the Modified Helmholtz Equation for Arbitrary Periodic Charge Densities

M. Winkelmann, E. Di Napoli, D. Wortmann, and S. Blügel


March 10, 2021

First-principles simulations of materials with SIESTA

Event: First-principles simulations of materials with SIESTA When: June 28th - July 2nd, 2021 Where: online Who (in-charge): ICN2 What: School


March 9, 2021

MaX Flagship codes: latest releases

“Within the MaX Centre of Excellence, we aim at bringing the most successful and the widely used...


March 8, 2021

March 8, reflections from some of the women @ MaX

By Maria Celeste Maschio ( CNR ) & Rita Giuffrida ( Trust-IT Services ) Though at a first and...


March 2, 2021

Virtual school on "Electronic excitations in solids and nanostructures using the Yambo code"

The Yambo Team is pleased to announce the: Virtual school on "Electronic excitations in solids and...


February 26, 2021

MaX at EMMC international workshop

The EMMC International Workshop is the leading event that gathers key-players from different...


February 25, 2021

Electronic structure of the parent compound of superconducting infinite-layer nickelates

M. Hepting, D. Li, C.J. Jia, H. Lu, E. Paris, Y. Tseng, X. Feng, M. Osada, E. Been, Y. Hikita, Y.D...


February 22, 2021

Ultrafast excitonic signal and 2D semiconductors

Besides graphene, the famous monolayer crystal which consists of a lattice of hexagonally arranged...


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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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