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MAterials design at the eXascale. European Centre of Excellence in materials modelling, simulations, and design

Objective

The main goal of MaX is to allow the pre-exascale and exascale computers expected in Europe in the 2020’s to meet the demands from a large and growing base of researchers committed to materials discovery and design. This goal will be achieved by:

i) an innovative software development model, based on the concept of separation of concerns, that will enable performance of the community codes on heterogeneous hardware architectures, without disrupting their internal structure, the richness of their simulation capabilities, and their distributed and open development model. In this way, the most important community codes for quantum mechanical materials modelling will be ready for pre-exascale machines by the completion of MaX programme, and prepared to be ported to new architectures as they will become available;

ii) an integrated ecosystem enabling the convergence of high performance and high throughput computing, that will allow steering the millions to hundreds of millions of simulations that are needed to optimise the properties and performances of a material or a device, with robust and reproducible workflows, all contributing to an ever growing repository of curated data;

iii) a new approach to scientific computing in which hardware and software are co-designed and co-developed taking into mutual account the constraints and goals;

iv) innovative measures for easy access to materials science applications, for engaging academic and industrial communities and fostering a broader and diverse pool of well trained users and developers.

All this is made possible by the coordinated effort of a team involving developers of the leading EU open source community codes in the materials domain, five leading European HPC centres, two technology partners, and training and communication experts.

MaX is fully aligned with the long term European HPC strategy and community, and to the work program call INFRAEDI-02-2018 – Subtopic (a), area 5 (Materials …).

Coordinator

CONSIGLIO NAZIONALE DELLE RICERCHE

Address

Piazzale Aldo Moro 7
00185 Roma

Italy

Activity type

Research Organisations

EU Contribution

€ 1 580 400

Participants (13)

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SCUOLA INTERNAZIONALE SUPERIORE DI STUDI AVANZATI DI TRIESTE

Italy

EU Contribution

€ 935 000

FUNDACIO INSTITUT CATALA DE NANOCIENCIA I NANOTECNOLOGIA

Spain

EU Contribution

€ 950 000

FORSCHUNGSZENTRUM JULICH GMBH

Germany

EU Contribution

€ 867 943,75

COMMISSARIAT A L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES

France

EU Contribution

€ 524 621,25

ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE

Switzerland

EU Contribution

€ 1 184 325

UNIVERSITEIT GENT

Belgium

EU Contribution

€ 125 000

CINECA CONSORZIO INTERUNIVERSITARIO

Italy

EU Contribution

€ 657 500

BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACION

Spain

EU Contribution

€ 237 500

EIDGENOESSISCHE TECHNISCHE HOCHSCHULE ZUERICH

Switzerland

EU Contribution

€ 916 000

E4 COMPUTER ENGINEERING SPA

Italy

EU Contribution

€ 80 610

ARM LIMITED

United Kingdom

EU Contribution

€ 172 407,50

UNITED NATIONS EDUCATIONAL, SCIENTIFIC AND CULTURAL ORGANIZATION -UNESCO

France

EU Contribution

€ 112 750

TRUST-IT SRL

Italy

EU Contribution

€ 152 500

Project information

Grant agreement ID: 824143

Status

Ongoing project

  • Start date

    1 December 2018

  • End date

    30 November 2021

Funded under:

H2020-EU.1.4.1.3.

  • Overall budget:

    € 8 496 557,50

  • EU contribution

    € 8 496 557,50

Coordinated by:

CONSIGLIO NAZIONALE DELLE RICERCHE

Italy