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Field
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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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oxides, hydroxides and hydrides using a combination of solid-state density-functional theory (DFT) and machine-learning force fields (MLFFs). DFT methods will be used to study materials of interest
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in the United Kingdom, Taiwan, Korea, Austria and Japan, plays a central role in the study of such theories. We developed state of the art (open source) software working on GPU- and CPU-based
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, the student will conduct pioneering research in spintronic sensors, ranging from fundamental simulations of material properties using density functional theory to the characterization and integration
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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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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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taking the limited capacity into account. Both these tasks will rely on dynamic online optimization theory. Finally, we want to analyze the performance of all the developed methods. We will therefore focus
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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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Comenius University Bratislava, Faculty of Mathematics, Physics and Informatics | Slovakia | 3 months ago
. Additional analyses - including SEM, EDS, WDS, XPS, XRD, and TEM - will examine thermal stability, oxidation resistance, and phase transformations. Furthermore, density functional theory (DFT) calculations
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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