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I am Mukesh Singh, a post-doctoral fellow in the Department of Physics at the Indian Institute of Technology Bombay. My research primarily involves the conceptual modeling of materials followed by a detailed examination of their intrinsic properties using state-of-the-art computational methodologies. During my doctoral studies, I have particularly focused on novel material modeling and their application of 2D carbon nano-materials in the domains of hydrogen storage and generation.
I am passionate about exploring the fundamental properties of materials such as electronic, optical, vibrational, mechanical, and topological properties, and their applications in the hydrogen economy and catalysis by employing ab-initio and machine/deep learning approaches.
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