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Muhammad Saad Naeem is currently a Marie Curie Early Stage Researcher (PhD) at ICIQ, specializing in Density Functional Theory, Ab Initio Molecular Dynamics, and Machine Learning since November 2021. Prior experience includes a research internship at CNM Technologies GmbH focused on the functional characterization of carbon nanomembranes from February to August 2021 and as a hosted researcher at the National Centre for Physics in 2018, where significant advancements were made in the fabrication of tips for Scanning Tunneling Microscopy. Muhammad Saad Naeem's academic journey includes multiple degrees in various fields of Chemical Engineering, Nanotechnology, and Material Science from prestigious institutions across Europe, encompassing a PhD at Universitat Rovira i Virgili and an Erasmus Mundus Master's program in Nanotechnology and Nanomaterials.