CORDIS · 101202630 · HORIZON
LocalChemAI Local Chemical AI: Achieving Transferability and Interpretability in Machine Learning Models through Quantum Theory of Atoms in Molecules.
Coordinator: UNIVERSITE DU LUXEMBOURG (LU)
Despite its remarkable accuracy, Machine Learning (ML) in chemistry faces significant challenges in transferability and interpretability, which limits its effectiveness in broader chemical contexts beyond the training data. I aim to overcome these limitations by leveraging Quantum Chemical Topology (QCT) for a physically rigorous atoms-in-molecules (AIM) fragmentation. This approach allows for the unbiased decomposition of molecular properties into local (atomic and interatomic) contributions. By integrating this precise partitioning with cutting-edge ML techniques, I seek to develop AI syste…
About Horizon Europe (2021–2027)
Horizon Europe is the EU's current research and innovation programme, covering 2021 to 2027 with a budget of roughly €95.5 billion. Its three pillars are Excellent Science (frontier research and mobility), Global Challenges and European Industrial Competitiveness (mission-driven collaborative projects in health, climate, digital, security and food) and Innovative Europe (the EIC and EIT). It also funds five EU Missions targeting cancer, climate adaptation, smart cities, oceans and soils.
0 EU contribution: €200k awarded to the consortium. The project runs over approximately 2 years from 2025-06-01 to 2027-05-31.
Full record on CORDIS — partners, deliverables, publications, news.
Open on cordis.europa.eu → Grant DOI ↗More from LU
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Frequently asked questions
- Who funds this research project?
- This project is funded by the European Union through the Horizon Europe (2021–2027) programme, under the HORIZON-TMA-MSCA-PF-EF funding scheme.
- What is the EU contribution?
- The European Commission contributes €200k.
- Which EU programme funds it?
- The project is funded under Horizon Europe (2021–2027), call HORIZON-MSCA-2024-PF-01.
- Who coordinates the project?
- The project is coordinated by UNIVERSITE DU LUXEMBOURG (LU).
- What is the project timeline?
- The project runs from 2025-06-01 to 2027-05-31 — approximately 2 years.
- Where can I find the full project record?
- The complete record — partners, deliverables, publications and news — is published on CORDIS under project ID 101202630.