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MaX SIGNED

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

Total Cost €

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EC-Contrib. €

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Partnership

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Project "MaX" data sheet

The following table provides information about the project.

Coordinator
CONSIGLIO NAZIONALE DELLE RICERCHE 

Organization address
address: PIAZZALE ALDO MORO 7
city: ROMA
postcode: 185
website: www.cnr.it

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country Italy [IT]
 Total cost 8˙496˙557 €
 EC max contribution 8˙496˙557 € (100%)
 Programme 1. H2020-EU.1.4.1.3. (Development, deployment and operation of ICT-based e-infrastructures)
 Code Call H2020-INFRAEDI-2018-1
 Funding Scheme RIA
 Starting year 2018
 Duration (year-month-day) from 2018-12-01   to  2021-11-30

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    CONSIGLIO NAZIONALE DELLE RICERCHE IT (ROMA) coordinator 1˙580˙400.00
2    ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE CH (LAUSANNE) participant 1˙184˙325.00
3    FUNDACIO INSTITUT CATALA DE NANOCIENCIA I NANOTECNOLOGIA ES (BELLATERRA (BARCELONA)) participant 950˙000.00
4    SCUOLA INTERNAZIONALE SUPERIORE DI STUDI AVANZATI DI TRIESTE IT (TRIESTE) participant 935˙000.00
5    EIDGENOESSISCHE TECHNISCHE HOCHSCHULE ZUERICH CH (ZUERICH) participant 916˙000.00
6    FORSCHUNGSZENTRUM JULICH GMBH DE (JULICH) participant 867˙943.00
7    CINECA CONSORZIO INTERUNIVERSITARIO IT (CASALECCHIO DI RENO BO) participant 657˙500.00
8    COMMISSARIAT A L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES FR (PARIS 15) participant 524˙621.00
9    BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACION ES (BARCELONA) participant 237˙500.00
10    ARM LIMITED UK (CAMBRIDGE) participant 172˙407.00
11    TRUST-IT SRL IT (PISA) participant 152˙500.00
12    UNIVERSITEIT GENT BE (GENT) participant 125˙000.00
13    UNITED NATIONS EDUCATIONAL, SCIENTIFIC AND CULTURAL ORGANIZATION -UNESCO FR (PARIS) participant 112˙750.00
14    E4 COMPUTER ENGINEERING SPA IT (SCANDIANO) participant 80˙610.00

Map

 Project 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 …).

 Publications

year authors and title journal last update
List of publications.
2019 Bogdan Guster, Miguel Pruneda, Pablo Ordejón, Enric Canadell, Jean-Paul Pouget
Evidence for the weak coupling scenario of the Peierls transition in the blue bronze
published pages: , ISSN: 2475-9953, DOI: 10.1103/PhysRevMaterials.3.055001
Physical Review Materials 3/5 2020-01-30
2019 Riccardo Bertossa, Federico Grasselli, Loris Ercole, Stefano Baroni
Theory and Numerical Simulation of Heat Transport in Multicomponent Systems
published pages: , ISSN: 0031-9007, DOI: 10.1103/PhysRevLett.122.255901
Physical Review Letters 122/25 2020-01-30
2018 Gianluca Prandini, Antimo Marrazzo, Ivano E. Castelli, Nicolas Mounet, Nicola Marzari
Precision and efficiency in solid-state pseudopotential calculations
published pages: , ISSN: 2057-3960, DOI: 10.1038/s41524-018-0127-2
npj Computational Materials 4/1 2020-01-30
2019 Leyla Isaeva, Giuseppe Barbalinardo, Davide Donadio, Stefano Baroni
Modeling heat transport in crystals and glasses from a unified lattice-dynamical approach
published pages: , ISSN: 2041-1723, DOI: 10.1038/s41467-019-11572-4
Nature Communications 10/1 2020-01-30
2019 D Sangalli, A Ferretti, H Miranda, C Attaccalite, I Marri, E Cannuccia, P Melo, M Marsili, F Paleari, A Marrazzo, G Prandini, P Bonfà, M O Atambo, F Affinito, M Palummo, A Molina-Sánchez, C Hogan, M Grüning, D Varsano, A Marini
Many-body perturbation theory calculations using the yambo code
published pages: 325902, ISSN: 0953-8984, DOI: 10.1088/1361-648X/ab15d0
Journal of Physics: Condensed Matter 31/32 2020-01-30
2019 Federico Grasselli, Stefano Baroni
Topological quantization and gauge invariance of charge transport in liquid insulators
published pages: 967-972, ISSN: 1745-2473, DOI: 10.1038/s41567-019-0562-0
Nature Physics 15/9 2020-01-30

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The information about "MAX" are provided by the European Opendata Portal: CORDIS opendata.

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