Project description
Enabling the identification and design of compounds for use in organic semiconductors
The EU-funded MALTOSE project will combine fundamental material research with machine learning to study in detail the electronic properties of organic semiconductors. The researchers’ methodology will rely on a deep tensor neural network, called PredictNet, which is designed and trained to predict the electronic properties of molecules and polymers. What is more, it does so at a fraction of the numerical cost compared to density-functional theory computations and experimental measurements. The project will enable the identification and design of promising compounds out of the immense pool of possible molecules and materials for applications in organic photovoltaic solar cells, large-area electronic displays, flexible organic electronics and sensors.
Objective
“Machine Learning for Tailoring Organic Semiconductors” (MALTOSE) connects fundamental materials research with machine-learning (ML) techniques, focusing on the electronic properties of organic semiconductors. The aim of this innovative project is to discover and design novel materials with exciting properties, the prime example being the design of compounds for better organic photovoltaic cells, i.e. that reach higher power-conversion efficiencies and are more stable and more environmentally friendly.
The methodology relies on a deep tensor neural network, the so-called PredictNet, that is designed and trained to predict electronic properties of molecules and polymers, at a fraction of the numerical cost compared to density-functional theory (DFT) computations, not to mention experimental measurements. PredictNet will be particularly fruitful in combination with a genetic algorithm that will be developed to propose candidate compounds from crossover and mutation from previously successful compounds. MALTOSE will enable the identification and design of promising compounds, out of the immense pool of imaginable molecules and materials, for future technological applications in fields like organic photovoltaic solar cells, large-area electronic displays, flexible organic electronics, or sensors.
The project will bring together the fellow, a recognized quantum physicist and data scientist with academic and industry research experience, and a top research host institution under the supervision of a leading expert in materials science, genetic algorithms, modelling, simulation and knowledge transfer. The fellow will receive an advanced training programme in research skills and complementary non-research-oriented skills in order to enhance his future career prospects and to provide a strong basis for an independent career.
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 polymer sciences
- natural sciences biological sciences genetics mutation
- natural sciences physical sciences electromagnetism and electronics semiconductivity
- engineering and technology environmental engineering energy and fuels renewable energy solar energy photovoltaic
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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.1.3. - EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions
MAIN PROGRAMME
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H2020-EU.1.3.2. - Nurturing excellence by means of cross-border and cross-sector mobility
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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.
MSCA-IF - Marie Skłodowska-Curie Individual Fellowships (IF)
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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-MSCA-IF-2019
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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.
24412 CUBILLOS DEL SIL LEON
Spain
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.