Dr. Mohd Athar is an Assistant Professor (RTD-A) in the Department of Physics at the University of Cagliari, Italy. He received his PhD in Chemical Sciences from the Central University of Gujarat in 2019 and his MSc in Applied Chemistry from Babasaheb Bhimrao Ambedkar University, Lucknow, in 2013, where he received the University Gold Medal. His research experience includes postdoctoral appointments at inStem/NCBS-TIFR, IIT Madras and the University of Cagliari. His work combines molecular dynamics, enhanced sampling, free-energy calculations and structure-based compound design to investigate antimicrobial resistance, bacterial multidrug efflux pumps, membrane transport, molecular recognition and protein allostery. He co-developed the gEDES enhanced-sampling and ensemble-docking framework and has co-authored studies in Nature Communications and the Journal of Chemical Information and Modeling. He coordinates a CINECA ISCRA Class C computing project and received a University of Cagliari competitive mobility grant in 2026. His professional memberships have included the American Chemical Society and the Biophysical Society.