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dynamics (MD) simulations capable of probing hydrogen diffusion and trapping at interfaces in the presence of tramp elements with near-DFT accuracy Collaborate closely with a broad team of researchers from
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closely related discipline. You have a strong background and prior experience in atomistic and molecular simulation techniques, specifically density functional theory (DFT) and molecular dynamics (MD
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that can be benchmarked through physical experiments or computational simulations. The project is funded by the Research Council of Norway and is a collaboration between NTNU and Norsk Regnesentral
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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