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reference calculation by DFT, large-scale generation of training data, training and modifying published NN models on custom datasets, and evaluation of their performance. The ultimate goal will be to remove
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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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, HNMR, BET etc.) will be employed to characterize the carbon nanofiber structures. For molecular level, understanding, DFT modeling will be employed. The project would require fundamental investigations
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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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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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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