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Simulation Group at ICN2 conducts cutting-edge research in computational materials science, focusing on electronic structure methods, atomistic simulations, and multiscale modelling. The group develops and
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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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functionalization of materials, especially Pb-free Metal Halide perovskites (MHPs), including all inorganic and 2D materials, and oxides. · Fabrication of functionalized Pb-free MHPs by solution processing methods
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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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functionalization. Chemical characterization by different means (FTIR, UV-Vis, electron microscopies, TGA, NMR, EPR and elemental analysis, among others). Morphological characteriztion electron microscopy, (SEM, TEM
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to provide internal operational guidance and advanced tools that accelerate the adoption and development of machine learning (ML) methods across the centre. Its mission is supported by a set of strategic lines
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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
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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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expertise in electron microscopy, particularly STEM and EELS methods. Proven experience in designing and conducting in-situ TEM experiments. Familiarity with energy-related nanomaterials and catalysis is
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chemical and structural manipulation, nanostructuring and interfacing materials that are identified as strategic in the roadmap for new technologies (hybrid metal-organic heterostructures, graphene-based