The Jayaraman research group is currently based at University of Colorado, Boulder and headed by Prof. Arthi Jayaraman. As of August 1st we will move to University of Delaware Chemical Engineering and Materials Science and Engineering. Our research interests lie in understanding molecular-level phenomena governing complex biological processes and material science problems using theoretical and simulation techniques.

Current Focus

  • Functionalized Nanoparticles and Polymer Nanocomposites
  • Organic Photovoltaics
  • Biomaterials
These are investigated using computer simulations and theoretical methods, such as:
  • Molecular dynamics simulations
  • Monte Carlo simulations
  • Polymer Reference Interaction Site Model (PRISM) theory
  • Brownian dynamics simulations


We are grateful to the following sources for funding our research:

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