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MaX SIGNED

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

Total Cost €

EC-Contrib. €

Partnership

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MaX project word cloud

Explore the words cloud of the MaX project. It provides you a very rough idea of what is the project "MaX" about.

centres base hpc community computing max trained convergence demands innovative co completion source millions coordinated domain science distributed hundreds reproducible ecosystem architectures diverse curated mechanical designed heterogeneous experts engaging separation industrial material aligned codes communities infraedi structure pool exascale 2018 prepared machines effort ported subtopic made simulations academic committed software throughput quantum meet goals computers area mutual simulation internal constraints 2020 repository 02 device team ready disrupting optimise richness hardware training data communication performances model materials scientific developers workflows performance steering discovery strategy

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 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.	IT (ROMA)	coordinator	1˙580˙400.00
2	ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE Organization address address: BATIMENT CE 3316 STATION 1 city: LAUSANNE postcode: 1015 website: www.epfl.ch contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	CH (LAUSANNE)	participant	1˙184˙325.00
3	FUNDACIO INSTITUT CATALA DE NANOCIENCIA I NANOTECNOLOGIA FUNDACIO INSTITUT CATALA DE NANOCIENCIA I NANOTECNOLOGIA Organization address address: CAMPUS DE LA UAB EDIFICI Q ICN2 city: BELLATERRA (BARCELONA) postcode: 8193 website: www.icn.cat contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	ES (BELLATERRA (BARCELONA))	participant	950˙000.00
4	SCUOLA INTERNAZIONALE SUPERIORE DI STUDI AVANZATI DI TRIESTE SCUOLA INTERNAZIONALE SUPERIORE DI STUDI AVANZATI DI TRIESTE Organization address address: VIA BONOMEA 265 city: TRIESTE postcode: 34136 website: www.sissa.it contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	IT (TRIESTE)	participant	935˙000.00
5	EIDGENOESSISCHE TECHNISCHE HOCHSCHULE ZUERICH EIDGENOESSISCHE TECHNISCHE HOCHSCHULE ZUERICH Organization address address: Raemistrasse 101 city: ZUERICH postcode: 8092 website: https://www.ethz.ch/de.html contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	CH (ZUERICH)	participant	916˙000.00
6	FORSCHUNGSZENTRUM JULICH GMBH FORSCHUNGSZENTRUM JULICH GMBH Organization address address: WILHELM JOHNEN STRASSE city: JULICH postcode: 52428 website: www.fz-juelich.de contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	DE (JULICH)	participant	867˙943.00
7	CINECA CONSORZIO INTERUNIVERSITARIO CINECA CONSORZIO INTERUNIVERSITARIO Organization address address: VIA MAGNANELLI 6/3 city: CASALECCHIO DI RENO BO postcode: 40033 website: www.cineca.it contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	IT (CASALECCHIO DI RENO BO)	participant	657˙500.00
8	COMMISSARIAT A L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES COMMISSARIAT A L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES Organization address address: RUE LEBLANC 25 city: PARIS 15 postcode: 75015 website: www.cea.fr contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	FR (PARIS 15)	participant	524˙621.00
9	BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACION BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACION Organization address address: Calle Jordi Girona 31 city: BARCELONA postcode: 8034 website: www.bsc.es contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	ES (BARCELONA)	participant	237˙500.00
10	ARM LIMITED ARM LIMITED Organization address address: 110 FULBOURN ROAD city: CAMBRIDGE postcode: CB1 9NJ website: n.a. contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	UK (CAMBRIDGE)	participant	172˙407.00
11	TRUST-IT SRL TRUST-IT SRL Organization address address: VIA BIXIO 25 city: PISA postcode: 56125 website: n.a. contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	IT (PISA)	participant	152˙500.00
12	UNIVERSITEIT GENT UNIVERSITEIT GENT Organization address address: SINT PIETERSNIEUWSTRAAT 25 city: GENT postcode: 9000 website: http://www.ugent.be contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	BE (GENT)	participant	125˙000.00
13	UNITED NATIONS EDUCATIONAL, SCIENTIFIC AND CULTURAL ORGANIZATION -UNESCO UNITED NATIONS EDUCATIONAL, SCIENTIFIC AND CULTURAL ORGANIZATION -UNESCO Organization address address: PLACE DE FONTENOY 7 city: PARIS postcode: 75352 website: www.unesco.org contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	FR (PARIS)	participant	112˙750.00
14	E4 COMPUTER ENGINEERING SPA E4 COMPUTER ENGINEERING SPA Organization address address: VIA MARTIRI DELLA LIBERTA 66 city: SCANDIANO postcode: 42019 website: n.a. contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	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

List of publications.
year	authors and title	journal	last update
2019	Bogdan Guster, Miguel Pruneda, Pablo OrdejÃ³n, 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 BonfÃ , M O Atambo, F Affinito, M Palummo, A Molina-SÃ¡nchez, C Hogan, M GrÃ¼ning, 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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