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surrogates of electronic Hamiltonians. The postdoctoral researcher will develop graph neural networks based on the MACE architecture to predict Hamiltonian elements for 2D materials and van der Waals
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), such as pharmaceutical antibiotics (e.g., sulfonamides, tetracyclines), nitrates, and metal oxides, among others, in complex water matrices. This is a highly multidisciplinary project covering topics
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broad experience in the development of electronic structure methods and their application in order to perform atomistic simulations of molecules and materials. These include (but are not restricted
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materials. Fabrication and characterization of complete perovskite solar cells. Tasks: Synthesis and functionalization of materials, especially Pb-free Metal Halide perovskites (MHPs), including all inorganic
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electrochemical scanning probe microscopy including scanning tunnelling microscopy. Main Tasks and responsibilities: The successful candidate will combine classical electrochemical methods with in situ
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methods with in situ characterisation techniques such as in situ Raman spectroscopy (including SHINERS) and electrochemical mass spectrometry. This combination will be used to investigate the structure
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broad experience in the development of electronic structure methods and their application in order to perform atomistic simulations of molecules and materials. These include (but are not restricted
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broad experience in the development of electronic structure methods and their application in order to perform atomistic simulations of molecules and materials. These include (but are not restricted
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characterization techniques. · Knowledge: Deep expertise in electron microscopy, particularly STEM and FIB methods. Proven experience in designing and conducting in-situ TEM experiments. Familiarity with energy