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value a willingness to learn and grow in these areas: Prior experience in some sort of computational method such as DFT, tight-binding or Monte Carlo simulations. We are committed to fostering
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) simulations. The use of MLFFs will allow for larger simulation cells and longer timescales to be accessed, whilst retaining the accuracy of DFT calculations, which we hope will allow for more accurate
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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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projects of which you are part. Your work may also include teaching or other departmental duties, up to a maximum of 20% of full-time. Your research focus will be on theoretical models and simulations
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duties, up to a maximum of 20% of full-time. Your research focus will be on theoretical models and simulations of thin film depositions, with a special focus on models for chemical reactions in combination
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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
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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