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CNRS, Laboratoire de Physique et Chimie des Nano-Objets (LPCNO) at INSA Toulouse, invites applications for a 18-month research position. The project focuses on machine-learning strategies to optimise d-/f-metal catalysts, transforming legacy DFT data into a curated database and training equivariant potentials.
Collaboration with experimental groups is expected. Expected work includes harmonising DFT data, developing surrogate models, and disseminating results through publications and open-source
CNRS, Laboratoire de Physique et Chimie des Nano-Objets (LPCNO) at INSA Toulouse, invites applications for a 18-month research position. The project focuses on machine-learning strategies to optimise d-/f-metal catalysts, transforming legacy DFT data into a curated database and training equivariant potentials.
Collaboration with experimental groups is expected. Expected work includes harmonising DFT data, developing surrogate models, and disseminating results through publications and open-source