Mubashar Ali earned an MPhil in Physics (University of Education: Lahore, Punjab, Pakistan), focusing on theoretical and computational modeling.

His work centers on first-principles computational studies of hydrogen storage, 2D materials, MAX phases, heterostructures, and gas sensing materials. His recent research includes developing computational strategies like density functional theory (DFT) for exploring structural, electronic, and thermoelectric properties of emerging materials for sustainable energy applications.