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The Novel Materials Discovery Laboratory

Objective

Essentially every new commercial product, be they smart phones, solar cells, batteries, transport technology, artificial hips, etc., depends on improved or even novel materials. Computational materials science is increasingly influential as a method to identify such critical materials for both R&D. Enormous amounts of data, precious but heterogeneous and difficult to access or utilise, are already stored in repositories scattered across Europe. The NoMaD CoE will open new HPC opportunities by enabling access to this data and delivering powerful new tools to search, retrieve and manage it.
NoMaD will foster sharing of all relevant data, building on the unique CECAM, Psi-k and ETSF communities, putting Europe ahead of materials science in other continents. Unprecedented, already initialised networking with researchers, with industry, with students and with other stakeholders will guarantee relevance and end-user value. NoMaD will become a crucial tool for atomistic simulations and multi-scale modelling in the physical, materials, and quantum-chemical sciences. This field is characterised by a healthy but heterogeneous eco-system of many different codes that are used at all HPC centers worldwide, with millions of CPU hours spent every day, some of them at petascale performance. NoMaD will integrate the leading codes and make their results comparable by converting (and compressing) existing inputs and outputs into a common format, thus making these valuable data accessible to academia and industry:
NoMaD will develop “big-data analytics” for materials science. This will require novel algorithms, e.g., for statistical learning based on the created materials encyclopedia, offering complex searches and novel visualisations. These challenges exploit the essential resources of our HPC partners. Without the infrastructure and services provided by the NoMaD CoE, much of the information created with the above mentioned petascale (towards exascale) computations would be wasted.

Field of science

  • /engineering and technology/electrical engineering, electronic engineering, information engineering/electronic engineering/computer hardware/computer processor

Call for proposal

H2020-EINFRA-2015-1
See other projects for this call

Funding Scheme

RIA - Research and Innovation action

Coordinator

MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV
Address
Hofgartenstrasse 8
80539 Muenchen
Germany
Activity type
Research Organisations
EU contribution
€ 1 417 837,43

Participants (10)

KING'S COLLEGE LONDON
United Kingdom
EU contribution
€ 678 264,55
Address
Strand
WC2R 2LS London
Activity type
Higher or Secondary Education Establishments
HUMBOLDT-UNIVERSITAET ZU BERLIN
Germany
EU contribution
€ 561 929,83
Address
Unter Den Linden 6
10117 Berlin
Activity type
Higher or Secondary Education Establishments
THE CHANCELLOR MASTERS AND SCHOLARSOF THE UNIVERSITY OF CAMBRIDGE
United Kingdom
EU contribution
€ 145 531,25
Address
Trinity Lane The Old Schools
CB2 1TN Cambridge
Activity type
Higher or Secondary Education Establishments
UNIVERSITAT DE BARCELONA
Spain
EU contribution
€ 414 366,25
Address
Gran Via De Les Corts Catalanes 585
08007 Barcelona
Activity type
Higher or Secondary Education Establishments
AALTO KORKEAKOULUSAATIO SR
Finland
EU contribution
€ 450 000
Address
Otakaari 1
02150 Espoo
Activity type
Higher or Secondary Education Establishments
DANMARKS TEKNISKE UNIVERSITET
Denmark
EU contribution
€ 343 070,18
Address
Anker Engelundsvej 1 Bygning 101 A
2800 Kgs Lyngby
Activity type
Higher or Secondary Education Establishments
BAYERISCHE AKADEMIE DER WISSENSCHAFTEN
Germany
EU contribution
€ 205 500
Address
Alfons-goppel-strasse 11
80539 Muenchen
Activity type
Research Organisations
CSC-TIETEEN TIETOTEKNIIKAN KESKUS OY
Finland
EU contribution
€ 205 375
Address
Keilaranta 14
02101 Espoo
Activity type
Other
BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACION
Spain
EU contribution
€ 238 749,99
Address
Calle Jordi Girona 31
08034 Barcelona
Activity type
Research Organisations
PINTAIL LTD
Ireland
EU contribution
€ 250 000
Address
Springhill Avenue 77
A94 K542 Blackrock
Activity type
Private for-profit entities (excluding Higher or Secondary Education Establishments)