CECAM: Uncertainty quantification in atomistic modeling

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25.11 - 28.11.2025 Jointly with Sanggyu Chong (EPFL), Genevieve Dusson (CNRS), Federico Grasselli (Modena) and Julia Westermayr (Leipzig) we will organise a CECAM / Psi-k workshop Uncertainty quantification in atomistic modelling in Lausanne, Switzerland. In the workshop we want to bridge various topics and directions on how to quantify and propagate uncertainties from DFT through ML towards predicted properties.

During the conference Niklas Schmitz will give a tutorial on Uncertainty quantification methods for density-functional theory based on our recent preprint.

[Code] [Slides]

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