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will be put on the effect of structural defects on the electronic properties of the investigated heterojunctions. While we will mainly use density functional theory (DFT) to achieve these goals, we will
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on the electronic properties of the investigated heterojunctions. While we will mainly use density functional theory (DFT) to achieve these goals, we will also exploit machine-learning techniques to train more
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group’s previous work, the student will conduct pioneering research in spintronic sensors, ranging from fundamental simulations of material properties using density functional theory to the characterization
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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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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