Objective
It is now possible to make an enormous spectrum of different, novel nanoporous materials simply by changing the building blocks in the synthesis of Metal Organic Frameworks (MOF) or related materials. This unique chemical tunability allows us to tailor-make materials that are optimal for a given application. The promise of finding just the right material seems remote however: because of practical limitations we can only ever synthesize, characterize, and test a tiny fraction of all possible materials. To take full advantage of this development, therefore, we need to develop alternative techniques, collectively referred to as Materials Genomics, to rapidly screen large numbers of materials and obtain fundamental insights into the chemical nature of the ideal material for a given application. The PI will tackle the challenge and promise posed by this unprecedented chemical tunability through the development of a multi-scale computational approach, which aims to reliably predict the performance of novel materials before synthesis. We will develop methodologies to generate libraries of representative sets of synthesizable hypothetical materials and perform large-scale screening of these libraries. These studies should give us fundamental insights into the common molecular features of the top-performing materials. The methods developed will be combined into an open access infrastructure in which our hypothetical materials are publicly accessible for data mining and big-data analysis. The project is organized in three Work Packages, each centered around finding better materials for carbon capture: (1) screen materials for gas separations and develop the tools to predict the best materials for carbon capture; (2) gain insights into and develop a computational methodology for screening the mechanical properties of nanoporous materials; (3) achieve an understanding of the amine-CO2 chemistry in diamine-appended MOFs and use this to predict their performance.
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.
- natural sciences chemical sciences inorganic chemistry inorganic compounds
- natural sciences mathematics pure mathematics topology
- natural sciences computer and information sciences data science data mining
- engineering and technology environmental engineering carbon capture engineering
- natural sciences computer and information sciences artificial intelligence computational intelligence
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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.1.1. - EXCELLENT SCIENCE - European Research Council (ERC)
MAIN PROGRAMME
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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.
ERC-ADG - Advanced Grant
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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) ERC-2014-ADG
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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.
1015 LAUSANNE
Switzerland
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.