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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 …).

Field of science

  • /natural sciences/computer and information sciences/software/software development
  • /natural sciences/computer and information sciences/software
  • /natural sciences/computer and information sciences/computational science

Call for proposal

H2020-INFRAEDI-2018-1
See other projects for this call

Funding Scheme

RIA - Research and Innovation action

Coordinator

CONSIGLIO NAZIONALE DELLE RICERCHE
Address
Piazzale Aldo Moro 7
00185 Roma
Italy
Activity type
Research Organisations
EU contribution
€ 1 580 400

Participants (13)

SCUOLA INTERNAZIONALE SUPERIORE DI STUDI AVANZATI DI TRIESTE
Italy
EU contribution
€ 935 000
Address
Via Bonomea 265
34136 Trieste
Activity type
Higher or Secondary Education Establishments
FUNDACIO INSTITUT CATALA DE NANOCIENCIA I NANOTECNOLOGIA
Spain
EU contribution
€ 950 000
Address
Campus De La Uab Edifici Q Icn2
08193 Bellaterra (Barcelona)
Activity type
Research Organisations
FORSCHUNGSZENTRUM JULICH GMBH
Germany
EU contribution
€ 867 943,75
Address
Wilhelm Johnen Strasse
52428 Julich
Activity type
Research Organisations
COMMISSARIAT A L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES
France
EU contribution
€ 524 621,25
Address
Rue Leblanc 25
75015 Paris 15
Activity type
Research Organisations
ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE
Switzerland
EU contribution
€ 1 184 325
Address
Batiment Ce 3316 Station 1
1015 Lausanne
Activity type
Higher or Secondary Education Establishments
UNIVERSITEIT GENT
Belgium
EU contribution
€ 125 000
Address
Sint Pietersnieuwstraat 25
9000 Gent
Activity type
Higher or Secondary Education Establishments
CINECA CONSORZIO INTERUNIVERSITARIO
Italy
EU contribution
€ 657 500
Address
Via Magnanelli 6/3
40033 Casalecchio Di Reno Bo
Activity type
Research Organisations
BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACION
Spain
EU contribution
€ 237 500
Address
Calle Jordi Girona 31
08034 Barcelona
Activity type
Research Organisations
EIDGENOESSISCHE TECHNISCHE HOCHSCHULE ZUERICH
Switzerland
EU contribution
€ 916 000
Address
Raemistrasse 101
8092 Zuerich
Activity type
Higher or Secondary Education Establishments
E4 COMPUTER ENGINEERING SPA
Italy
EU contribution
€ 80 610
Address
Via Martiri Della Liberta 66
42019 Scandiano
Activity type
Private for-profit entities (excluding Higher or Secondary Education Establishments)
ARM LIMITED
United Kingdom
EU contribution
€ 172 407,50
Address
110 Fulbourn Road
CB1 9NJ Cambridge
Activity type
Private for-profit entities (excluding Higher or Secondary Education Establishments)
UNITED NATIONS EDUCATIONAL, SCIENTIFIC AND CULTURAL ORGANIZATION -UNESCO
France
EU contribution
€ 112 750
Address
Place De Fontenoy 7
75352 Paris
Activity type
Research Organisations
TRUST-IT SRL
Italy
EU contribution
€ 152 500
Address
Via Bixio 25
56125 Pisa
Activity type
Private for-profit entities (excluding Higher or Secondary Education Establishments)