The Computational Materials Physics group, led by Dr Juliana Morbec, is devoted to computational study and design of materials for technological applications. We use first-principles quantum mechanical methods to investigate the electronic, magnetic, optical and transport properties of different systems, from molecules to two-dimensional (2D) materials and surfaces. Our goal is to gain deep understanding of properties, processes and phenomena on atomic level in order to predict and design materials for spintronics, optoelectronics, sensors, catalysis, and energy conversion. We work in close collaboration with experimentalists joining efforts to explore novel materials and discover new properties. Our research interests include (i) 2D materials and van der Waals heterostructures for flexible and portable applications, (ii) hybrid organic/inorganic materials for optoelectronic applications, (iii) transition metal oxide and nitride semiconductors for solar water splitting, and (iv) nanomaterials for spintronics

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