Arthi Jayaraman

Arthi Jayaraman
Patten Assistant Professor


B.E., Chemical Engineering, Birla Institute of Technology and Science (2000)
Ph.D., Chemical Engineering, North Carolina State University (2006)

Selected Honors

  • ACS PMSE Young Investigator 2014
  • Provost Faculty Achievement Award 2013
  • Featured in Soft Matter's Emerging Investigators Issue 2013
  • AIChE COMSEF Young Investigator Award 2013 
  • Featured in Journal of Polymer Science B: Polymer Physics Young Investigators Issue 2013
  • College of Engineering Dean’s Faculty Fellowship 2011-12
  • Department of Chemical and Biological Engineering Outstanding Faculty Undergraduate Teaching Award 2011
  • Department of Energy (DOE) Early Career Research Award 2010
  • ACS Women Chemist Committee Lectureship Award 2010
  • Edward M. Schoenborn Award for outstanding graduate research, Department of Chemical Engineering, NC State University, 2006
  • Richard D. Gilbert Award for Best Poster, ACS Polymer Discussion Group, NC section, 2004
  • Monali Dey Award for outstanding undergraduate student Chemical Engineering department, Birla Institute of Technology and Science, Pilani, 2000

Selected Publications        

  • E. Jankowski#, H. S. Marsh#, A. Jayaraman*, Computationally linking molecular features of conjugated polymers and fullerene derivatives to bulk heterojunction morphology Macromolecules 2013 (accepted and in press)
  • T. Martin, A. Jayaraman*, Polydisperse Polymer Grafts for Stabilizing Dispersion of Homopolymer Grafted Nanoparticles in Chemically Identical Homoolymer Matrix. Peer-reviewed article for special issue on ‘Emerging Investigators in Soft Matter’ in Soft Matter 2013 (accepted and in press)
  • T. Martin, P. Dodd†, A. Jayaraman*, Polydispersity in polymer grafts for tuning potential of mean force between polymer grafted nanoparticles in a polymer matrix Physical Review Letters 110, 018301 (2013)
  • T.Martin, C. McKinney†, A. Jayaraman*, "Effect of monomer sequences and particle monomer interactions on assembly of copolymer grafted nanoparticles", Soft Matter (in press) 2012
  • R. Elder, A. Jayaraman*, “Coarse-grained simulation studies of effects of polycation architecture on structure of the polycation and polycation-polyanion complexes”, Macromolecules (in press) 2012
  • H. Marsh, A. Jayaraman*, "Morphological Studies of Blends of Conjugated Polymers and Acceptor Molecules using Langevin Dynamics Simulations", J. Polymer Science B: Polymer Physics (in press) 2012
  • R. Elder, A. Jayaraman*, "Sequence specific recognition of cancer drug-DNA adducts by HMGB1a repair protein", Biophysical Journal Volume 102, Issue 10, Pages 2331–2338 (2012)
  • P. Dodd†, A. Jayaraman*, "Monte Carlo simulation studies of effects of polydispersity in polymer grafted nanoparticle on chain conformations and grafted layer", J Polymer Science B: Polymer Physics Volume 50, Issue 10, pages 694–705, (2012)
  • R. Elder, A. Jayaraman*, "Role of Conformational Dynamics of DNA with Cisplatin and Oxaliplatin Adducts in Various Sequence Contexts on Binding of HMGB1a Protein: a Molecular Dynamics Simulation Study", Molecular Simulations Volume 38, Issue 10, 793-808 (2012)
  • R. Elder, T. Emrick, A. Jayaraman*, "Understanding the effect of polylysine architecture on DNA binding using molecular dynamics simulations", Biomacromolecules 12(11):3870-9 (2011)
  • T.Martin†, A.Seifpour, A. Jayaraman*, "Assembly of copolymer functionalized nanoparticles: A Monte Carlo simulation study", Soft Matter 7,5952-5964 (2011)
  • N. Nair, N. Wentzel, A. Jayaraman*, "Effects of polydispersity on Potential of Mean Force between Functionalized Nanoparticles in a Homopolymer Matrix: Self-Consistent PRISM Theory-Monte Carlo Simulation Study", J. Chem Phys 134, 194906 (2011)
  • N. Nair, A. Jayaraman*, "Self-Consistent PRISM Theory-Monte Carlo Simulation Studies of Copolymer Grafted Nanoparticles in a Homopolymer Matrix", Macromolecules 43 (19), pp 8251.8263 (2010)
  • A. Seifpour, P. Spicer†, N. Nair, A. Jayaraman*, "Effect of monomer sequences on conformations of copolymers grafted on spherical nanoparticles: A Monte Carlo simulation study", J. Chem. Phys. 132, 164901 (2010)

(# denotes equal contribution, * denotes corresponding author, † denotes undergraduate author)

Research Interests

The focus of my research group is to study materials and biological problems using molecular simulations. We use theory and simulations to get a molecular-level understanding of phenomena observed in experiments, and use this insight to predict/design new materials for target applications. The specific projects range from designing polymer functionalized nanoparticles and polymer nanocomposites for optics, photonics and organic photovoltaics to designing polymers for DNA and drug delivery. For more details on each project please visit