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EMC2 SIGNED

Extreme-scale Mathematically-based Computational Chemistry

Total Cost €

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EC-Contrib. €

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Partnership

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 EMC2 project word cloud

Explore the words cloud of the EMC2 project. It provides you a very rough idea of what is the project "EMC2" about.

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Project "EMC2" data sheet

The following table provides information about the project.

Coordinator
SORBONNE UNIVERSITE 

Organization address
address: 21 RUE DE L'ECOLE DE MEDECINE
city: PARIS
postcode: 75006
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.

 Coordinator Country France [FR]
 Total cost 9˙991˙997 €
 EC max contribution 9˙991˙997 € (100%)
 Programme 1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC))
 Code Call ERC-2018-SyG
 Funding Scheme ERC-SyG
 Starting year 2019
 Duration (year-month-day) from 2019-09-01   to  2025-08-31

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    SORBONNE UNIVERSITE FR (PARIS) coordinator 5˙632˙192.00
2    INSTITUT NATIONAL DE RECHERCHE ENINFORMATIQUE ET AUTOMATIQUE FR (LE CHESNAY CEDEX) participant 2˙226˙511.00
3    ECOLE NATIONALE DES PONTS ET CHAUSSEES FR (MARNE LA VALLEE CEDEX 2) participant 2˙133˙294.00

Map

 Project objective

Molecular simulation has become an instrumental tool in chemistry, condensed matter physics, molecular biology, materials science, and nanosciences. It will allow to propose de novo design of e.g. new drugs or materials provided that the efficiency of underlying software is accelerated by several orders of magnitude.

The ambition of the EMC2 project is to achieve scientific breakthroughs in this field by gathering the expertise of a multidisciplinary community at the interfaces of four disciplines: mathematics, chemistry, physics, and computer science. It is motivated by the twofold observation that, i) building upon our collaborative work, we have recently been able to gain efficiency factors of up to 3 orders of magnitude for polarizable molecular dynamics in solution of multi-million atom systems, but this is not enough since ii) even larger or more complex systems of major practical interest (such as solvated biosystems or molecules with strongly-correlated electrons) are currently mostly intractable in reasonable clock time. The only way to further improve the efficiency of the solvers, while preserving accuracy, is to develop physically and chemically sound models, mathematically certified and numerically efficient algorithms, and implement them in a robust and scalable way on various architectures (from standard academic or industrial clusters to emerging heterogeneous and exascale architectures).

EMC2 has no equivalent in the world: there is nowhere such a critical number of interdisciplinary researchers already collaborating with the required track records to address this challenge. Under the leadership of the 4 PIs, supported by highly recognized teams from three major institutions in the Paris area, EMC2 will develop disruptive methodological approaches and publicly available simulation tools, and apply them to challenging molecular systems. The project will strongly strengthen the local teams and their synergy enabling decisive progress in the field.

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The information about "EMC2" are provided by the European Opendata Portal: CORDIS opendata.

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