2 dft-simulation "ENS" Postdoctoral positions in Netherlands

Postdoc Predicting & Mitigating Liquid Copper Infiltration in Steels via Atomistic Simulations

Delft University of Technology (TU Delft) | Netherlands | about 1 month ago

predictive MD simulations capable of resolving atomic-scale LCI mechanisms with near-DFT accuracy Investigate how silicon suppresses LCI, including its effects on grain boundary site competition and the

Postdoc in Physical and Theoretical Chemistry, Department of Quantum Nanoscience, TU Delft

Delft University of Technology (TU Delft) | Netherlands | 2 months ago

and validate its accuracy against previous benchmarks for small molecules like PtH. This approach is general and can be directly combined with EOM-CC embedded in point charges, or in periodic DFT