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receiving guidance and support. In the role you will: Learn and use symmetry analysis as a basis for predictions Perform density functional theory (DFT) calculations using VASP, focusing on surface and
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energies will be measured through threshold collision-induced dissociation (T-CID) experiments, with tandem MS/MS experiments used to ensure accuracy. Computational methods like Density Functional Theory
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energies will be measured through threshold collision-induced dissociation (T-CID) experiments, with tandem MS/MS experiments used to ensure accuracy. Computational methods like Density Functional Theory
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experimental investigation for battery development, both supported by the Icelandic Research Fund (RANNIS), a project grant for 3 years. Main tasks The first project involves density functional theory (DFT
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effects in magnets, this project will develop Density Functional Theory methodology for multicomponent lanthanide materials. We will study, for example, how application of pressure causes the f-electrons in
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on novel high-resolution microscopy techniques to experimentally quantify transition probabilities, alongside density functional theory (DFT) calculations of defects in feldspar. This inter-disciplinary
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applications such as energy storage, solar, and carbon capture. The project will explore methods beyond traditional density-functional theory (DFT), leveraging cutting-edge techniques such in machine learning
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(CFD) and density functional theory (DFT) forms a powerful in silico approach to understanding CVD at the atomic level, while kinetic Monte Carlo methods can be used to study the development of different
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members working on novel high-resolution microscopy techniques to experimentally quantify transition probabilities, alongside density functional theory (DFT) calculations of defects in feldspar. This inter
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to analyze crystallographic data and model electronic structures in complex materials. The work involves creating code for processing diffuse scattering data, performing density functional theory (DFT