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architectures and devices. The group is looking for a Postdoctoral Researcher to participate in the development of a BBVA Fundamentos project (Reticular enzyme-like catalysis; RETICAT) related to achieving a
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: Design, implementation and testing of new methods and algorithms so that SIESTA can harness the compute power of the latest generation of (pre-)exascale architectures and tackle novel scientific challenges
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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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architectures and devices. The group is looking for a Postdoctoral Researcher to participate in the development of a European project (ERC Advanced Grant) related to the Design and Synthesis of New Materials via
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: Design, implementation and testing of new methods and algorithms so that SIESTA can harness the compute power of the latest generation of (pre-)exascale architectures and tackle novel scientific challenges
-
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