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-centre.eu) since its inception in 2015. The project will be conducted in close collaboration with other SIESTA developers at the Institute of Materials Science of Barcelona (ICMAB-CSIC) and the Barcelona
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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 heterostructures, with
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