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14/04/2026
Abstract scientific visualisation of molecular interaction, showing fluid-like structures in blue and white with a highlighted central binding area in orange and red.
Published by Catarina Fernandes on 14/04/2026
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  • Blog - Destaque Home
  • Results

Accelerating drug discovery through scalable AI and HPC

By Dompé farmaceutici S.p.A     Accurately predicting how drug candidates interact with biological targets is a primary challenge in the drug discovery process. Improving this […]
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02/12/2025
Screenshot of Nature Communications page.
Published by Catarina Fernandes on 02/12/2025
Categories
  • Results
  • Scientific Publications

Real-space machine learning of correlation density functionals

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This project has received funding from the European High-Performance Computing Joint Undertaking under grant agreement No.101139786.
Funded by the European Union. Views and opinions expressed are however those of the author(s) only and do not necessarily reflect those of the European Union or EuroHPC Joint Undertaking. Neither the European Union nor the granting authority can be held responsible for them.
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