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to) SIESTA (www.siesta-project.org) and its TranSIESTA functionality. SIESTA is a multi-purpose first-principles method and program, based on Density Functional Theory, which can be used to describe the atomic
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, graphene-based nanostructures, 2D materials, topological insulators...). This position is related to MOLESENSE (PID2022-140845OB-C63), a project within the program of the Spanish Research Agency PROYECTOS DE
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