Mubashar Ali earned his MPhil in Physics from the University of Education, Lahore, Pakistan, specializing in theoretical and computational modelling. After completing his MPhil, he worked as a lecturer in the Department of Physics, University of Management and Technology, Lahore, Pakistan. He is an expert in computational simulations and modelling of materials. His work focuses on the theoretical investigation and modelling of a broad range of functional materials, including Hydrogen storage, 2D materials and their heterostructures, Molecular adsorption, MAX phases, Gas sensors and thermoelectric materials for sustainable energy applications.
Currently, his research is centered on the first-principles modelling and theoretical design of electrocatalysts for the methanol electrooxidation reaction (MOR). His ongoing work involves:
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Conducting first-principles modelling to design and analyze electrocatalysts for MOR.
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Investigating MXene-supported metal systems to improve catalytic activity and stability.
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Employing DFT and complementary computational methods to explore mechanistic pathways and interfacial electronic interactions.
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Identifying key performance descriptors to establish guiding principles for the rational design of next-generation MOR electrocatalysts.