4 molecular-modeling-or-molecular-dynamic-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

dynamics (MD) simulations of different materials families composed of Ti and C. Titanium carbides, for example, exhibit exceptional hardness, high melting point, wear and abrasion resistance, and many other

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