S

Shams Mehdi

Postdoctoral Researcher

Research Areas

Machine Learning Computational Chemistry Molecular Dynamics Simulations Neural Network Potentials Drug Discovery

Biography

I am a postdoctoral researcher, working with Professor Olexandr Isayev at CMU. My research focuses on developing algorithms for machine-learned interatomic potential, and AI-accelerated molecular dynamics simulations for understanding molecular processes and solving the inverse design problem in drug discovery.

Education

  • Ph.D. in Biophysics, University of Maryland, College Park, USA (2025)
  • M.S. in Physics, University of Texas Rio Grande Valley, Brownsville, USA (2020)
  • B.S. in physics, University of Dhaka, Bangladesh

Research Interests

  • MLIP development
  • AI accelerated MD
  • Interpretable/Explainable AI

Awards & Honors

  • NCI-UMD partnership for Integrative Cancer Research Fellowship (2022-2025)
  • Ann G. Wylie Dissertation Fellowship (2025)

Publications

No publications found for this author.