4 dft PhD positions in engineering

PhD Position Probing Hydrogen-Defect Interaction in Circular Steels via Atomistic Simulation

Delft University of Technology (TU Delft) | Netherlands | 1 day ago

Density Functional Theory (DFT) calculations to model hydrogen-tramp element co-segregation at grain boundaries and phase boundaries Perform DFT to obtain atomistic insights into how tramp elements interact

PhD Position Probing Hydrogen-Defect Interaction in Circular Steels via Atomistic Simulation

Delft University of Technology (TU Delft) | Netherlands | 3 days ago

compositionally complex circular steels. As a PhD researcher, you will: Perform Density Functional Theory (DFT) calculations to model hydrogen-tramp element co-segregation at grain boundaries and phase boundaries

PhD Candidate in large language models(LLMs) for data extraction and reasoning in materials science

NTNU Norwegian University of Science and Technology | Norway | 23 days ago

science. Electronic structure calculations (e.g. DFT or tight-binding methods), or thermodynamic modelling (e.g. statistical mechanics, MD or CALPHAD). Scientific data analysis. Interdisciplinary research

PhD Positions in Theoretical Chemistry and Physics (ERC-Funded)

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

for molecular magnetic materials lags behind these experimental breakthroughs. DFT fails to capture strong correlation, while wave function-based methods are computationally prohibitive for strongly-correlated