Publications
* corresponding author, # equal contributions, ^ undergraduate author
2013
E. Jankowski, H. Marsh, A. Jayaraman*, Computationally linking molecular features of conjugated polymers and fullerene derivatives to bulk heterojunction morphology submitted
R. Elder, A. Jayaraman*, Structure and Thermodynamics of ssDNA oligomers near Hydrophobic and Hydrophilic Surfaces: A molecular simulation study submitted
28. T. Martin and A. Jayaraman*, Polydisperse homopolymer grafts stabilize dispersions of nanoparticles in a chemically identical homopolymer matrix: A computational studySoft Matter, special issue on Emerging Investigators in Soft Matter accepted
27. A. Jayaraman*, Polymer grafted nanoparticles: Effect of Chemical and Physical Heterogeneity in Grafts on Particle Assembly and Dispersion, Highlight article in special issue in J. Polymer Science B: Poly Phys accepted
26. A. Seifpour, S. Dahl, B. Lin^, A. Jayaraman*, Molecular simulation studies of assembly of DNA-functionalized particles. Molecular Simulations (accepted)
25. T. Martin, P. Dodd^, A. Jayaraman*, Polydispersity for tuning potential of mean force between polymer grafted nanoparticles in a polymer matrix Phys. Rev. Lett. 110,018301, 2013link to the article
24. T.Martin, C. McKinney^ and A. Jayaraman*,'Effect of blockiness in the grafted monomer sequences on assembly of copolymer grafted nanoparticles: A Monte Carlo simulation study'Soft Matter 9, 155-169 2013link to the article
23. H.Marsh and A. Jayaraman*,'Morphological Studies of Blends of Conjugated Polymers and Acceptor Molecules using Langevin Dynamics Simulations ' J. Polym Sci B: Polymer Physics 51, 64-77 2013link to the article
2012
22. R. Elder and A. Jayaraman*,'Coarse-grained simulation studies of effects of polycation architecture on structure of the polycation and polycation-polyanion complexes' Macromolecules 45 (19), pp 8083-8096 (2012) link to the article
21. R. Elder and A. Jayaraman*,'Sequence-specific recognition of cancer drug-DNA adducts by HMGB1a repair protein' Biophys J. Volume 102, Issue 10, Pages 2331.2338 (2012)
link to the article
20. A. Jayaraman* and N. Nair,'Integrating PRISM theory and Monte Carlo simulations for studying polymer functionalized particles and polymer nanocomposites' in press to Molecular Simulations special issue on New Developments in Molecular Simulations (2012)
19. P. Dodd^, A. Jayaraman*,'Monte Carlo Simulations of Polydisperse Polymers Grafted on Spherical Surfaces' J. Polymer Science B: Polymer Physics in press (2012)
link to the article
18. R. Elder and 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 Simulation in press (2012)
link to the article
2011
17. R. Elder, T. Emrick, and A. Jayaraman*,'Understanding the effect of polylysine architecture on DNA binding using molecular dynamics simulations' Biomacromolecules 12 (11), pp 3870.3879 (2011)
link to the article
16. T.Martin^#, A.Seifpour# and A. Jayaraman*,'Assembly of copolymer functionalized nanoparticles: A Monte Carlo simulation study.' Soft Matter 7,5952-5964 (2011) link to the article
15. N. Nair, N. Wentzel and A. Jayaraman*,'Effects of bidispersity on grafted chain conformation and 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) link to the article
2010
14. N. Nair and 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) link to the article
13. 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). link to the article
12. L. M. Hall, A. Jayaraman and K. S. Schweizer*,'Molecular Theories of Polymer Nanocomposites' invited article Current Opionion in Solid State and Materials Science 14, 8, 38-48 (2010)
2009
11. A. Jayaraman and K. S. Schweizer*,'Effective Interactions and Self-Assembly of Hybrid Polymer Grafted Nanoparticles in a Homopolymer Matrix' Macromolecules 42,8423-8434,(2009)
10. A. Jayaraman* and K. S. Schweizer, 'Liquid State Theory of the Structure and Phase Behavior of Polymer-Tethered Nanoparticles in Dense Suspensions, Melts and Nanocomposites ' (invited article) Molecular Simulation 35, 838-845 (2009)
2008
9. A. Jayaraman and K. S. Schweizer*,'Effective interactions, structure and phase behavior of lightly tethered nanoparticles in polymer melt' Macromolecules 41(23) 9430-9438 (2008)
8. A. Jayaraman and K. S. Schweizer*, `Effect of number and placement of polymer tethers on the structure of concentrated solutions and melts of hybrid nanoparticles ' Langmuir 24(19) 11119-11130 (2008)
7. A. Jayaraman and K. S. Schweizer*, `Structure and assembly of dense solutions
and melts of single tethered nanoparticles' J. Chem. Phys. 128 164904 (2008)
This also appears in Virtual Journal of Nanoscale Science & Technology
2007
6. A. Jayaraman, C. K. Hall* and J. Genzer, `Computer simulation study of
probe-target hybridization in model DNA microarrays: Effect of probe surface
density and target concentration'J. Chem. Phys. 127, 144912 (2007)
This also appears in Virtual Journal of Biological Physics
5. A. Jayaraman, E. E. Santiso, C. K. Hall* and J. Genzer, 'Theoretical study of
kinetics of zipping in biomimetic polymers' Phys. Rev. E 76, 011915 (2007)
This also appears in Virtual Journal of Biological Physics
2006
4. A. Jayaraman, C. K. Hall* and J. Genzer, 'Computer Simulation Study of Molecular Recognition in Model DNA Microarrays' Biophys. J. 91, 2227 (2006)
2005
3. A. Striolo, A. Jayaraman, C. K. Hall, and J. Genzer, 'Adsorption of comb copolymers on weakly-attractive solid surfaces' J.Chem. Phys., 123, 064710 (2005)
This also appears in Virtual Journal of Biological Physics
2. A. Jayaraman, C. K. Hall*, and J. Genzer, 'Computer simulation study of pattern transfer in AB diblock copolymer film adsorbed on a heterogeneous surface' J. Chem. Phys.,123 124702 (2005)
1. A. Jayaraman, C. K. Hall*, and J. Genzer, 'Designing Pattern-Recognition Surfaces for Selective Adsorption of Copolymer Sequences Using Lattice Monte Carlo Simulation' , Phys. Rev. Lett., 94, 078103 (2005)
This also appears in Virtual Journal of Biological Physics
* corresponding author