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Materials design at the eXascale

Objective

Materials are crucial to scientific and technological advances and industrial competitiveness, and to tackle key societal challenges - from energy and environment to health care, information and communications, manufacturing, safety and transportation.

The current accuracy and predictive power of materials' simulations allow a paradigm shift for computational design and discovery, in which massive computing efforts can be launched to identify novel materials with improved properties and performance; behaviour of ever-increasing complexity can be addressed; sharing of data and work-flows accelerates synergies and empowers the science of big-data; and services can be provided in the form of data, codes, expertise, turnkey solutions, and a liquid market of computational resources.

Europe has the human resources, track record and infrastructure to be worldwide leader in this field, and we want to create a CoE in materials' modelling, simulations, and design to endow our researchers and innovators with powerful new instruments to address the key scientific, industrial and societal challenges that require novel materials.

This CoE will be a user-focused, thematic effort supporting the needs and the vision of all our core communities: domain scientists, software scientists and vendors, end-users in industry and in academic research, and high-performance computing centres.

The proposal is structured along two core actions: (1) Community codes, their capabilities and reliability; provenance, preservation and sharing of data and work-flows; the ecosystem that integrates capabilities; and hardware support and transition to exascale architectures. (2) Integrating, training, and providing services to our core communities, while developing and implementing a model for sustainability, with the core benefit of propelling materials simulations in the practice of scientific research and industrial innovation.

Field of science

  • /social sciences/sociology/governance/public services

Call for proposal

H2020-EINFRA-2015-1
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
€ 830 400

Participants (11)

SCUOLA INTERNAZIONALE SUPERIORE DI STUDI AVANZATI DI TRIESTE
Italy
EU contribution
€ 560 000
Address
Via Bonomea 265
34136 Trieste
Activity type
Higher or Secondary Education Establishments
FUNDACIO INSTITUT CATALA DE NANOCIENCIA I NANOTECNOLOGIA
Spain
EU contribution
€ 540 600
Address
Campus De La Uab Edifici Q Icn2
08193 Bellaterra (Barcelona)
Activity type
Research Organisations
FORSCHUNGSZENTRUM JULICH GMBH
Germany
EU contribution
€ 387 588,75
Address
Wilhelm Johnen Strasse
52428 Julich
Activity type
Research Organisations
ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE
Switzerland
EU contribution
€ 511 250
Address
Batiment Ce 3316 Station 1
1015 Lausanne
Activity type
Higher or Secondary Education Establishments
CINECA CONSORZIO INTERUNIVERSITARIO
Italy
EU contribution
€ 271 250
Address
Via Magnanelli 6/3
40033 Casalecchio Di Reno Bo
Activity type
Research Organisations
BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACION
Spain
EU contribution
€ 212 650
Address
Calle Jordi Girona 31
08034 Barcelona
Activity type
Research Organisations
EIDGENOESSISCHE TECHNISCHE HOCHSCHULE ZUERICH
Switzerland
EU contribution
€ 260 250
Address
Raemistrasse 101
8092 Zuerich
Activity type
Higher or Secondary Education Establishments
KUNGLIGA TEKNISKA HOEGSKOLAN
Sweden
EU contribution
€ 133 125
Address
Brinellvagen 8
100 44 Stockholm
Activity type
Higher or Secondary Education Establishments
E4 COMPUTER ENGINEERING SPA
Italy
EU contribution
€ 70 000
Address
Via Martiri Della Liberta 66
42019 Scandiano
Activity type
Private for-profit entities (excluding Higher or Secondary Education Establishments)
CLOUDWEAVERS LTD
United Kingdom
EU contribution
€ 149 750
Address
37 Warren Street
W1T 6AD London
Activity type
Private for-profit entities (excluding Higher or Secondary Education Establishments)
UNITED NATIONS EDUCATIONAL, SCIENTIFIC AND CULTURAL ORGANIZATION -UNESCO
France
EU contribution
€ 142 000
Address
Place De Fontenoy 7
75352 Paris
Activity type
Research Organisations