Project description
Novel materials for urgent energy, environmental and societal challenges
With the aim of advancing computational materials science to facilitate systematic studies and predictions of novel materials, the Novel Materials Discovery (NOMAD) Centre of Excellence (CoE) is working to address urgent energy, environmental and societal challenges. The list includes catalytic water splitting (hydrogen production) and the transformation of waste heat into useful electricity (search for efficient thermoelectric materials). The EU-funded NOMAD CoE project will develop a new level of materials modelling, enabled by upcoming exascale computing and extreme-scale data hardware. Results will be tested in two use cases. Among its many actions, NOMAD CoE will strive to train the next generation of students.
Objective
Predicting novel materials with specific desirable properties is a major aim of ab initio computational materials science (aiCMS) and an urgent requirement of basic and applied materials science, engineering and industry. Such materials can have immense impact on the environment and on society, e.g. on energy, transport, IT, medical-device sectors and much more. Currently, however, precisely predicting complex materials is computationally infeasible.
NOMAD CoE will develop a new level of materials modelling, enabled by upcoming HPC exascale computing and extreme-scale data hardware.
In close contact with the R&D community, including industry, we will
• develop exascale algorithms to create accurate predictive models of real-world, industrially-relevant, complex materials;
• provide exascale software libraries for all code families (not just selected codes); enhancing today’s aiCMS to take advantage of tomorrow’s HPC computing platforms;
• develop energy-to-solution as a fundamental part of new models. This will be achieved by developing novel artificial-intelligence (AI) guided work-flow engines that optimise the modelling calculations and provide significantly more information per calculation performed;
• offer extreme-scale data services (data infrastructure, storage, retrieval and analytics/AI);
• test and demonstrate our results in two exciting use cases, solving urgent challenges for the energy and environment that cannot be computed properly with today’s hard- and software (water splitting and novel thermoelectric materials);
• train the next generation of students, also in countries where HPC studies are not yet well developed.
NOMAD CoE is working closely together with POP, and it is synergistically complementary to and closely coordinated with the EoCoE, ECAM, BioExcel and MaX CoEs. NOMAD CoE will push the limits of aiCMS to unprecedented capabilities, speed and accuracy, serving basic science, industry and thus society.
Fields of science (EuroSciVoc)
CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: The European Science Vocabulary.
CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: The European Science Vocabulary.
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Keywords
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Programme(s)
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
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H2020-EU.1.4. - EXCELLENT SCIENCE - Research Infrastructures
MAIN PROGRAMME
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H2020-EU.1.4.1.3. - Development, deployment and operation of ICT-based e-infrastructures
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Topic(s)
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
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.
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.
RIA - Research and Innovation action
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Call for proposal
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
(opens in new window) H2020-INFRAEDI-2018-2020
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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.
10117 Berlin
Germany
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.