4 molecular-simulation PhD positions in Luxembourg

Doctoral researcher in Uncertainty-Aware Machine Learning Force Fields

University of Luxembourg | Luxembourg | 1 day ago

through molecular dynamics, simulations, and benchmarks Active Learning in Configurational and Chemical Spaces Integrate uncertainty-aware MLFFs into active learning frameworks Explore automated dataset

Doctoral researcher - Uncertainty-Aware ML Force Fields

University of Luxembourg | Luxembourg | 25 days ago

datasets across broad chemical space Evaluate models through molecular dynamics, simulations, and benchmarks Active Learning in Configurational and Chemical Spaces Integrate uncertainty-aware MLFFs

SD- 26053 PHD IN ULTRA-FAST MACHINE-LEARNING INTERATOMIC POTENTIALS FOR NANOINDENTATION OF TIC MA...

Nature Careers | Luxembourg, | Luxembourg | 2 months ago

Temporary contract | 14 + 22 + 14 months | Belvaux Are you fascinated by data-driven atomistic simulations for materials science? So are we! Come and join us. We seek a highly motivated and capable

SD 26053 PHD IN ULTRA-FAST MACHINE-LEARNING INTERATOMIC POTENTIALS FOR NANOINDENTATION OF TIC MATERIALS

Luxembourg Institute of Science and Technology | Luxembourg | 2 months ago

apply ultra-fast machine-learning interatomic potentials (UFPs, Xie et al., npj Comput. Mater., 2023, 10.1038/s41524-023-01092-7 ) for long, multi-million-atom molecular dynamics (MD) simulations