Project description
Smarter catalysts for a cleaner future
Reducing CO2 emissions represents a significant global challenge. Converting CO2 into methanol presents a viable method for the sustainable production of fuel and essential chemicals. While solid catalysts for this conversion often require harsh conditions and yield poor results, molecular catalysts in solution are more active under milder conditions. However, discovering new, effective catalysts takes time and money. Supported by the Marie Skłodowska-Curie Actions programme, the BIFUCCO2 project aims to expedite this process by using machine learning to screen over a million digitally designed bifunctional catalysts. Combining expertise in computer science, catalysis, and reaction mechanisms, the project aims to identify and validate the best candidates, paving the way for cleaner and more efficient CO2 conversion methods.
Objective
As a global society, we face the urgent challenge of reducing CO2 emissions. In response, governmental organisations, such as the European Union, have introduced policies promoting sustainable practices and renewable energy sources. One initiative is the conversion of CO2 into valuable products, with CO2-based methanol synthesis emerging as a promising approach. Methanol serves both as a low-density fuel and a feedstock for essential chemicals. While heterogeneous catalysts are commonly used in this reaction, they necessitate harsh conditions and exhibit low selectivity. Homogeneous catalysts, in contrast, operate at milder conditions and allow for fine-tuned active sites, potentially enhancing performance. Nevertheless, conventional methods for discovering new efficient catalysts are time-consuming and costly. BIFUCCO2 aims to overcome these limitations by leveraging computational techniques to pinpoint the most promising homogeneous bifunctional catalysts for this reaction from over a million in silico designed candidates. By implementing a machine learning (ML) workflow, the identification of the most efficient catalysts for this process will be achieved, enabling our experimental collaborators to validate the findings. The project merges the applicant’s knowledge in data-driven techniques, the proficiency of Res. Prof. Nova’s group in catalytic mechanisms (University of Oslo), the experience of Res. Prof. Balcells in ML applications (University of Oslo), and the expertise of Prof. Dr. Reiher (ETH Zürich, secondment) in chemical reaction networks, alongside contributions from experimental collaborators (Prof. Beller, LIKAT). BIFUCCO2 provides a framework for enhancing my existing research skills and acquiring novel insights from domain experts across various disciplines. The training activities during the grant period will significantly advance my professional career, consolidating my ability to lead a research group in the field of computational chemistry.
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.
This project's classification has been human-validated.
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.
This project's classification has been human-validated.
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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HORIZON.1.2 - Marie Skłodowska-Curie Actions (MSCA)
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.
HORIZON-TMA-MSCA-PF-EF - HORIZON TMA MSCA Postdoctoral Fellowships - European Fellowships
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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) HORIZON-MSCA-2024-PF-01
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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.
0313 Oslo
Norway
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.