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project will employ calculations based on density functional theory (DFT) and extensions of DFT, such as DFT+U and DFT in combination with dynamical mean-field theory (DMFT). It is embedded in a consortium
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computational, theoretical, or physical chemistry, or chemical physics. Candidates with expertise in density functional theory (DFT) or theoretical spectroscopy are particularly encouraged to apply. 4 selected
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-to-olefins, syngas-to-olefins) involve the production of hydrocarbons from renewable raw materials. In addition to periodic density functional theory (DFT), ab initio methods and molecular dynamics (MD
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prerequisites): Molecular dynamics (MD) and Density Functional Theory (DFT); Protein engineering; Aptamer design/optimisation; Molecular biology; Graphene. DC13: Structural engineering of bioreceptors
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): Molecular dynamics (MD) and Density Functional Theory (DFT); Protein engineering; Aptamer design/optimisation; Molecular biology; Graphene. DC13: Structural engineering of bioreceptors for graphene. Engineer
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of density functional theory (DFT) is beneficial but not required. Your workplace You will work in the Theoretical Physics Division: https://liu.se/organisation/liu/ifm/teofy . The division conducts research