Objective
Polymorphism, the ability of a compound to crystallize in multiple forms, has enormous implications for pharmaceuticals, electronics, and food, where small structural differences can radically alter stability, performance, or safety. Yet, despite decades of research, reliable strategies to control polymorph selection remain elusive. The CLUSTERS project (Controlling poLymorphism USing opTimal ElectRic fieldS) aims to deliver the first predictive theoretical framework to design external electric fields that can selectively induce or interconvert specific polymorphs.
The project will proceed through three research stages. First, I will extend and generalize an optimal control model, originally developed for molecular reactions, to periodic crystalline systems, releasing it as open-source software. Next, I will map nucleation pathways and interconversion mechanisms of representative organic crystals using quantum chemical simulations. Finally, I will apply the new electric-field model to these systems, demonstrating how optimally oriented fields can drive polymorph selection or conversion. Results will be validated against literature data and expert consultation, ensuring feasibility and transferability.
CLUSTERS will thus establish a systematic, quantitative route to polymorph control, moving from empirical trial-and-error to predictive design principles. Beyond advancing fundamental understanding, the outcomes will guide crystal engineers, providing design rules to mimic field effects through molecular functionalization. This approach addresses major industrial challenges in pharmaceuticals and materials science, while aligning with Horizon Europe objectives of fostering scientific excellence, open science, and greener, more sustainable technologies. By training me in theoretical chemistry, software development, and soft skills, the fellowship will also strengthen my career trajectory toward independence in theoretical 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.
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 computer and information sciences software
- medical and health sciences basic medicine pharmacology and pharmacy pharmaceutical drugs
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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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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-2025-PF
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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.
08007 BARCELONA
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.