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MAterials design at the eXascale

Project description

Quantum simulations for materials science

Enhancing the capabilities of materials simulations is possible through the development and optimisation of quantum simulation codes for exascale and post-exascale architectures. This involves leveraging the power of these high-performance computing (HPC) systems to enable innovative capabilities that will allow faster and more accurate simulations of material properties and performance. This is the aim of the EU-funded MaX project. It will bring together European teams, HPC centres, and companies to co-design hardware and software that can support the development of lighthouse codes and the entire ecosystem of codes, workflows and data. MaX aims to engage developers and users in fully leveraging powerful instruments for discovery and innovation in materials science. It will deliver the resilience and performance requirements of exascale computing.

Objective

Understanding, predicting, and discovering the properties and performance of materials is key to delivering the technologies that power our economy and provide a sustainable development to our society. For this reason, materials simulations have become one of the most intensive and fast growing domains for high-performance computing worldwide, with a recognized European leadership in developing and innovating the ecosystem of quantum simulation codes. MaX will target these lighthouse codes to address the challenges and leverage the opportunities arising from future exascale and post-exascale architectures, and to offer powerful paths to discovery and innovation serving both scientific and industrial applications.
MaX includes (1) the core developing teams of the European lighthouse codes; (2) the HPC centres designing and hosting pre-exascale and exascale systems; (3) the main European companies engaged in the development of exascale technologies; and it brings (4) a sustained record in training and educating the community, and (5) in disseminating its resources under an extensive open-source model that includes
codes, workflows, and FAIR data.
These synergies will underpin the objectives of the present proposal, that aims to upscale the MaX codes and their performance to multiple heterogeneous exascale architectures; to endow these codes with innovative capabilities enabled by such architectures; to co-design the hardware and software in collaboration with the relevant European stakeholders; to enable turn-key simulation capabilities that meet the power of exascale resources and deliver the resilience needed; to disseminate the entire ecosystem of codes, workflows, and data; and to train and engage developers and users in fully leveraging such powerful instruments for discovery and innovation.

Fields of science (EuroSciVoc)

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Keywords

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Programme(s)

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Topic(s)

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Funding Scheme

Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.

HORIZON-JU-RIA - HORIZON JU Research and Innovation Actions

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Call for proposal

Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.

(opens in new window) HORIZON-EUROHPC-JU-2021-COE-01

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Coordinator

CONSIGLIO NAZIONALE DELLE RICERCHE
Net EU contribution

Net EU financial contribution. The sum of money that the participant receives, deducted by the EU contribution to its linked third party. It considers the distribution of the EU financial contribution between direct beneficiaries of the project and other types of participants, like third-party participants.

€ 706 874,75
Address
PIAZZALE ALDO MORO 7
00185 Roma
Italy

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Region
Centro (IT) Lazio Roma
Activity type
Research Organisations
Links
Total cost

The total costs incurred by this organisation to participate in the project, including direct and indirect costs. This amount is a subset of the overall project budget.

€ 1 533 315,00

Participants (15)

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