Sanket Deshmukh

Sanket Deshmukh is an Associate Professor in the Department of Chemical Engineering at Virginia Tech. His research emphasizes computational materials science, combining molecular dynamics simulations, machine learning, and Bayesian statistical methods to study structure-property relationships in polymers, biomaterials, and nanomaterials. He focuses on developing coarse-grained models for predictive simulations of complex systems and advancing applications in energy storage, drug delivery, and tribology.

• Education:
  • Ph.D., University College Dublin, Ireland (2009)
  • M.Sc., University of Pune, India (2004)
  • B.Sc., University of Pune, India (2002)
• Research Interests:
  • Molecular dynamics on petascale supercomputers
  • Nano- and meso-scale tribology
  • Smart polymers and bio-materials
  • Corrosion mechanisms and surface chemistry
  • Machine learning for materials design

His work bridges computational theory and experimental validation, with notable contributions to metal-organic frameworks (MOFs), thermoresponsive polymers, and graphene-based systems. Recent articles highlight advancements in AI-driven drug discovery, high-entropy alloys, and self-folding nanomaterials. Deshmukh’s research group actively explores applications in sustainable energy, biomedical engineering, and advanced materials.

Lab activities include the Research Group Google Scholar, emphasizing interdisciplinary collaboration in materials innovation.