-
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
-
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
Searches related to dft
Enter an email to receive alerts for dft positions