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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
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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
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quality of life. The contract will initially be limited to 2 or 3 years with the possibility for further extension. Salary is commensurate with work experience and seniority (TV EntgO Bund EG13 (Postdoc
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University of Girona (UdG) - Institute of Computational Chemistry and Catalysis (IQCC) | Spain | 3 months ago
, preferably in Python. Additional skills and experience considered positively:Experience in quantum mechanical calculations (e.g. DFT) Experience in molecular dynamics simulations Familiarity with Linux/Unix
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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
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by a more experienced theoretical postdoc. In the second phase of the project, work will move towards current-driven dynamics of the nanosized textures, the exploration of topological excitations, and
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combines microfluidics, bubble physics, and ultrasound signal processing to bring nanobubble imaging closer to clinical use. You will collaborate closely with a fellow PhD candidate, a postdoc, and a
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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
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innovation throughout the Dutch aviation sector and public policy. Within this unique ecosystem, you will join a diverse and interdisciplinary team of twelve PhD candidates and three postdocs from across
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credits). Practical experience of experimental spectroscopy or diffraction techniques such as XAS, XRD, FTIR, and XPS, of molecular modeling (MD/MC, DFT), and familiarity with basic programming (Python