Project description
Gaining a stronger understanding of weak intermolecular interactions
Experts in chemical physics, intermolecular interactions, simulation, and machine learning will come together to develop accurate molecular potentials that can impact a wide range of applications, including protein folding, charge transfer, and interstellar gas clouds. This will be carried out by the PHYMOL project, with the support of the Marie Skłodowska-Curie Actions programme. PHYMOL aims to improve our understanding of weak intermolecular interactions in significant physical-chemical processes and provide a comprehensive training programme in this field. Overall, the project is a significant step towards providing a much needed training programme for the next generation of researchers capable of developing accurate molecular potentials.
Objective
Weak intermolecular interactions are the driving force of relevant processes including protein folding, charge transfer through solid state junctions in solar cells and collisions in interstellar gas clouds. Understanding the nature of these forces is essential to achieve better control and optimization of these processes. Nowadays, modelling has become an essential tool for unravelling experiments and aiding materials design. However, the accurate description of weak interactions is plenty of challenges for many theoretical approaches. Atomistic simulations can help decipher the mechanisms underlying complex processes nonetheless precise molecular potentials are required to achieve a quantitative and qualitative description of these physical-chemical processes.
Despite the importance of this field, there is, at present, no systematic and comprehensive training in this subject, particularly in the fundamentals of the theory, method development, techniques to rigorously test the theory using experimental data, and the creation of new models using detailed physical understanding combined with machine-learning. The PHYMOL network aims to fill in this fill this gap by bringing together a group of experts in the field of chemical physics, intermolecular interactions, simulation and machine-learning with several industrial and academic partners. This program will exploit the synergies between an accurate description of intermolecular interactions and the use of machine learning techniques towards the generation of new molecular potentials. Combining scientific investigation with an intensive training program PHYMOL will help shape a new generation of researchers with the capability of developing accurate molecular potentials impacting a broad range of applications.
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 biological sciences biochemistry biomolecules proteins protein folding
- natural sciences computer and information sciences artificial intelligence machine learning
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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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HORIZON.1.2 - Marie Skłodowska-Curie Actions (MSCA)
MAIN PROGRAMME
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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-DN - HORIZON TMA MSCA Doctoral Networks
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Call for proposal
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Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
(opens in new window) HORIZON-MSCA-2021-DN-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.
87-100 TORUN
Poland
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Participants (8)
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15782 Santiago De Compostela
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4365 ESCH-SUR-ALZETTE
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6525 XZ Nijmegen
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28006 Madrid
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75006 Paris
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1053 Budapest
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79249 MERZHAUSEN
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Participation ended
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28931 Madrid
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Partners (14)
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15895 Ames A Coruna
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Partner organisations contribute to the implementation of the action, but do not sign the Grant Agreement.
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15705 Santiago De Compostela
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2580 Folldal
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Partner organisations contribute to the implementation of the action, but do not sign the Grant Agreement.
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36849-5131 Auburn Al
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94607 Oakland
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02138 Cambridge, Ma
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E1 4NS LONDON
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28931 Madrid
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Partner organisations contribute to the implementation of the action, but do not sign the Grant Agreement.
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WC1E 6BT London
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28049 Madrid
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166 10 PRAHA 6
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03-822 Warszawa
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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.
Partner organisations contribute to the implementation of the action, but do not sign the Grant Agreement.
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4051 Basel
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Partner organisations contribute to the implementation of the action, but do not sign the Grant Agreement.
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V6T 1Z2 VANCOUVER
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