Objective
Materials are crucial to scientific and technological advances and industrial competitiveness, and to tackle key societal challenges - from energy and environment to health care, information and communications, manufacturing, safety and transportation.
The current accuracy and predictive power of materials' simulations allow a paradigm shift for computational design and discovery, in which massive computing efforts can be launched to identify novel materials with improved properties and performance; behaviour of ever-increasing complexity can be addressed; sharing of data and work-flows accelerates synergies and empowers the science of big-data; and services can be provided in the form of data, codes, expertise, turnkey solutions, and a liquid market of computational resources.
Europe has the human resources, track record and infrastructure to be worldwide leader in this field, and we want to create a CoE in materials' modelling, simulations, and design to endow our researchers and innovators with powerful new instruments to address the key scientific, industrial and societal challenges that require novel materials.
This CoE will be a user-focused, thematic effort supporting the needs and the vision of all our core communities: domain scientists, software scientists and vendors, end-users in industry and in academic research, and high-performance computing centres.
The proposal is structured along two core actions: (1) Community codes, their capabilities and reliability; provenance, preservation and sharing of data and work-flows; the ecosystem that integrates capabilities; and hardware support and transition to exascale architectures. (2) Integrating, training, and providing services to our core communities, while developing and implementing a model for sustainability, with the core benefit of propelling materials simulations in the practice of scientific research and industrial innovation.
Fields of science
- natural scienceschemical scienceselectrochemistryelectric batteries
- engineering and technologynanotechnologynano-materialstwo-dimensional nanostructures
- natural sciencesbiological sciencesecologyecosystems
- natural sciencescomputer and information sciencessoftwaresoftware applications
- natural sciencesmathematicsapplied mathematicsmathematical model
Programme(s)
Funding Scheme
RIA - Research and Innovation actionCoordinator
00185 Roma
Italy
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Participants (12)
34136 Trieste
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Legal entity other than a subcontractor which is affiliated or legally linked to a participant. The entity carries out work under the conditions laid down in the Grant Agreement, supplies goods or provides services for the action, but did not sign the Grant Agreement. A third party abides by the rules applicable to its related participant under the Grant Agreement with regard to eligibility of costs and control of expenditure.
33100 Udine
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08193 Bellaterra (Barcelona)
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52428 Julich
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1015 Lausanne
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40033 Casalecchio Di Reno Bo
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08034 Barcelona
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8092 Zuerich
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100 44 Stockholm
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42019 Scandiano
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The organization defined itself as SME (small and medium-sized enterprise) at the time the Grant Agreement was signed.
W1T 6AD London
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The organization defined itself as SME (small and medium-sized enterprise) at the time the Grant Agreement was signed.
75007 Paris
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