PhD in Chemistry

The University of Luxembourg invites applications for a fully funded Ph.D. position in machine-learning force fields (MLFFs), uncertainty quantification, and atomistic simulations within the FNR-funded UMLFF project./nMLFFs have transformed atomistic simulations, offering quantum-chemical accuracy for large systems. However, they currently lack reliable uncertainty estimates, limiting error detection and automation. The UMLFF project aims to develop next-generation MLFFs with built-in uncertainty predictions to enable safe, automated active learning and create broad, reliable MLFFs./nYou will join the Theoretical Chemical Physics group led by Prof. Alexandre Tkatchenko, supervised by Dr. Igor Poltavskyi./nLocation: Limpertsberg Campus, Luxembourg City.