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.