Arthi Jayaraman

Arthi Jayaraman


Department of Chemical & Biomolecular Engineering
Department of Materials Science and Engineering

Email :
Phone : (302) 831-8682
230 Colburn Lab


Professor Arthi Jayaraman received her B.E (Honors) degree in Chemical Engineering from Birla Institute of Technology and Science, Pilani, India in 2000. She received her Ph.D. in Chemical and Biomolecular Engineering from North Carolina State University in 2006, and from 2006-2008 conducted her postdoctoral research in the department of Materials Science and Engineering at University of Illinois-Urbana Champaign. In August 2008, she joined the faculty of the Department of Chemical and Biological Engineering at University of Colorado at Boulder, and held the position of Patten Assistant Professor. In August 2014, she joined the faculty at the University of Delaware as Associate Professor of Chemical and Biomolecular Engineering and Materials Science and Engineering. Her research expertise lies in development of theory and simulation techniques and application of these techniques to study polymer functionalized nanoparticles and polymer nanocomposites, and to design macromolecular materials for biomedical applications. Her research has been recognized with the Dudley Saville Lectureship at Princeton University (2016), the AIChE COMSEF division Young Investigator Award (2013), ACS PMSE division Young Investigator (2014), University of Colorado Provost Faculty Achievement Award (2013), and Department of Energy (DOE) Early Career Research Award (2010). Her teaching has been recognized with the University of Colorado outstanding undergraduate teaching award (2011) and University of Colorado outstanding graduate teaching award (2014) in Chemical and Biological Engineering.


For a complete listing of awards, please view the Full CV.

  • Dudley Saville Lectureship at Princeton University (2016)
  • ACS Polymeric Materials Science and Engineering (PMSE) Young Investigator: 2014
  • Provost Faculty Achievement Award (University of Colorado: 2013)
  • AIChE Computational Molecular Science and Engineering Forum (COMSEF) Young Investigator Award: 2013
  • Department of Energy (DOE) Early CAREER Research Award: 2010
  • Outstanding Faculty Graduate Teaching Award in Department of Chemical Engineering (University of Colorado, Boulder: 2013 – 2014)
  • Outstanding Faculty Undergraduate Teaching Award in Department of Chemical Engineering (University of Colorado, Boulder: 2010 – 2011)

Research Interests

Two main areas of interest include: (see Research Group website for more information)
1. Structure and Thermodynamics in Polymer Nanocomposites, Blends Solutions
2. Design of Bioderived, Biocompatible or Bioinspired Macromolecular Materials

Representative Publications


For a complete listing of publications, please view the Full CV.

1. Z. Wu, D. Beltran-Villegas, A. Jayaraman*, Development of a new coarse-grained model to simulate assembly of cellulose chains due to hydrogen bonding, Journal of Chemical Theory and Computation, 2020, 16, 7, 4599–4614 (2020)

2. A. Jayaraman*, Modeling and simulation of macromolecules with hydrogen bonds: Challenges, successes and opportunities, an invited viewpoint in ACS Macro Letters, 9, 656–665 (2020)

3. U. Kapoor, A. Jayaraman*, Self-assembly of allomelanin dimers and the impact of poly(ethylene glycol) on the assembly: a molecular dynamics simulation study, Journal of Physical Chemistry B., 124, 2702-2714 (2020)

4. D. Beltran-Villegas, M. Wessels, J.Y. Lee, Y.Song, K. Wooley*, D. Pochan*, A. Jayaraman*, Computational Reverse-Engineering Analysis for Scattering Experiments (CREASE) on Amphiphilic Block Polymer Solutions, J. Am. Chem. Soc., 141, 14916-14930 (2019)

5. T. E. Gartner, III, F. M. Haque, A. M. Gomi, S. M. Grayson*, M. J. A. Hore* and A. Jayaraman*, Scaling Exponent and Effective Interactions in Linear and Cyclic Polymer Solutions: Theory, Simulations, and Experiments, Macromolecules 52, 4579-4589 (2019)

6. D. J. Beltran-Villegas, D. Intriago†, K. Kim, N. Behaptu, J. D. Londono, A. Jayaraman*, Coarse-grained molecular dynamics simulations of α-1,3-glucan, Soft Matter, 15, 4669-4681 (2019)

7. M. Dong#, M.G. Wessels#, J. Y.Lee, L. Su, H. Wang, R. A. Letteri, Y.Song, Y.N.Lin, Y. Chen, R Li, D. J. Pochan,* A. Jayaraman*, and K. L. Wooley*, Experiments and Simulations of Complex Sugar based Coil brush Block Polymer Nanoassemblies in Aqueous Solution, ACS Nano, 13, 5147-5162 (2019)

8. A. Kulshreshtha, K. Modica†, A. Jayaraman*, Impact of hydrogen bonding interactions on graft-matrix wetting and structure in polymer nanocomposites, Macromolecules, 52, 2725–2735 (2019)

9. A. Prhashanna#, P. A. Taylor#, J. Qin#, K. L. Kiick*, A. Jayaraman*, Effect of peptide sequence on LCST-like transition of elastin-like peptides (ELP) and elastin-b-collagen-like peptide (ELP-CLP) conjugates: Simulations and experiments, Biomacromolecules, 20, 1178–1189 (2019)

10. T. E. Gartner, III, A. Jayaraman*, Modeling and Simulations of Polymers: A Roadmap, an invited perspective article for Macromolecules, 52, 755–786 (2019)