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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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systems”, project number PN-IV-PCB-RO-MD-2024-0515.. The Experienced Researcher will carry out advanced theoretical DFT calculations and scientific research activities within the REDOXCOB project
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University of Girona (UdG) - Institute of Computational Chemistry and Catalysis (IQCC) | Spain | 3 months ago
(CompBioCat) research group at the Institute of Computational Chemistry and Catalysis (IQCC, http://iqcc.udg.edu ), University of Girona (Spain), is seeking a highly motivated PhD candidate to join the ERC
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be considered if you can document that you are particularly suitable for a PhD education. You must meet the requirements for admission to the NV faculty's Doctoral Programme . (https://www.ntnu.edu/nv
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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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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
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" section on the Applicant Portal at https://uscjobs.sc.edu. Research Grant or Time-limited positions may be eligible for all, some, or no benefits, based on the grant or project funding. South Carolina