Arun Yethiraj: List of Publications
  1. A. Yethiraj, S. Sivakumar, M. Chidambaram, and H. S. Shankar, "Analysis of Transport Reactors for Catalytic Cracking: Comparison of Vertical Upflow, Downflow, and Horizontal Reactors", Hung. J. Ind. Chem. 15, 323 (1987).

  2. A. Yethiraj and C. B. Smith, "Nonlinear Feedback Control of a Class of Nonlinear Systems", Electronics Letters 23, 18 (1987).

  3. A. Yethiraj and C. B. Smith, "Nonlinear Feedback Control of a Class of Nonlinear Systems", Proceedings of the Nineteenth Southeastern Symposium on System Theory, Clemson, 1987.

  4. A. Yethiraj, B. Kuszta, and C. B. Smith, "Identification and Feedback Control of Nonlinear Systems", Chem. Engr. Comm. 71, 1 (1988).

  5. A. Yethiraj and C. K. Hall, "Monte Carlo Simulation of Hard Chain-Hard Sphere Mixtures in Slit-like Pores", J. Chem. Phys. 91, 4827 (1989).

  6. A. Yethiraj and C. K. Hall, "Monte Carlo Simulation of Polymers Confined Between Flat Plates", Macromolecules 23, 1865 (1990).

  7. A. Yethiraj, C. K. Hall, and K. G. Honnell, "Site-site Correlations in Short Chain Fluids", J. Chem. Phys. 93, 4453 (1990).

  8. A. Yethiraj and C. K. Hall, "Local Structure of Fluids Containing Chain-like Molecules: Polymer Reference Interaction Site Model with a Yukawa Closure", J. Chem. Phys. 93, 5315 (1990).

  9. A. Yethiraj and C. K. Hall, "The Behaviour of Star-like Polymers Between Walls", Macromolecules 24, 709 (1991).

  10. A. Yethiraj and C. K. Hall, "Equations of State for Star Polymers", J. Chem. Phys. 94, 3943 (1991).

  11. A. Yethiraj and C. K. Hall, "Square-well Diatomics: Bulk Equation of State, Density Profiles Near Walls, Virial Coefficients, and Coexistence Properties", Molec. Phys. 72, 619 (1991).

  12. A. Yethiraj and C. K. Hall, "Square-well chains: Bulk Equation of State using Perturbation Theory, and Monte Carlo Simulations of the Bulk Pressure and of the Density Profiles Near Walls", J. Chem. Phys. 95, 1999 (1991).

  13. A. Yethiraj and C. K. Hall, "Monte Carlo Simulation of the Equilibrium Partitioning of Chain Molecules Between a Bulk and a Pore'', Molec. Phys. 73, 503 (1991).

  14. A. Yethiraj and C. K. Hall, "Integral Equation Theory for the Adsorption of Chain Molecules in Small Pores", J. Chem. Phys. 95, 3749 (1991).

  15. A. Yethiraj and C. K. Hall, "Generalized Flory Equations of State for Square-well Chains", J. Chem. Phys. 95, 8494 (1991).

  16. A. Yethiraj and C. K. Hall, "Monte Carlo Simulations and Integral Equation Theory for Microscopic Correlations in Polymeric Fluids", J. Chem. Phys. 96, 797 (1992).

  17. A. Yethiraj, C. K. Hall, and R. Dickman, "Interaction between Colloids in Solutions containing Dissolved Polymer", J. Colloid Interface Sci. 151, 102 (1992).

  18. A. Yethiraj, K. G. Honnell, and C. K. Hall, "Monte Carlo Calculation of the Osmotic Second Virial Coefficient of Off-lattice Athermal Polymers", Macromolecules 25, 3979 (1992).

  19. A. Yethiraj and K. S. Schweizer, "Self-consistent Polymer Integral Equation Theory: Comparisons with Monte Carlo Simulations and Alternative Closure Approximations", J. Chem. Phys. 97, 1455 (1992).

  20. A. Yethiraj and R. Dickman, "Local Structure of Model Polymeric Fluids: Hard-Sphere Chains and the Three-dimensional Fluctuating Bond Model", J. Chem. Phys. 97, 4468 (1992).

  21. A. Yethiraj and K. S. Schweizer, "On the Scaling of the Critical Temperature with the Degree of Polymerization in Symmetric Polymer Blends", J. Chem. Phys. (Comm.) 97, 5927 (1992).

  22. J. D. Londono, G. D. Wignall, A. H. Narten, K. G. Honnell, A. Yethiraj, and K. S. Schweizer, "Asymmetries in the Flory-Huggins interaction parameter in isotopic polymer blends", Polym. Prepr. 34, 829 (1993).
  23. A. Yethiraj, J. G. Curro, K. S. Schweizer, and J. D. McCoy, "Microscopic Equations-of-State of Polyethylene: Hard-Chain Contribution to the Pressure", J. Chem. Phys. 98, 1635 (1993).

  24. J. G. Curro, A. Yethiraj, K. S. Schweizer, J. D. McCoy, and K. G. Honnell, "Microscopic Equation of State of Hydrocarbons: Effect of Attractions and Comparison with Polyethylene Experiments", Macromolecules 26, 2655 (1993).

  25. C. K. Hall, A. Yethiraj, and J. M. Wichert,"Equations of State for Chain-Molecule Fluids using the Generalized Flory Approach", Fluid Phase Equil. 83, 313 (1993).

  26. K. S. Schweizer and A. Yethiraj, "Polymer RISM Theory: New Molecular Closures for Phase-separating Fluids and Alloys", J. Chem. Phys. 98, 9053 (1993).

  27. A. Yethiraj and K. S. Schweizer, "Integral Equation Theory of Polymer Blends: Numerical Investigation of Molecular Closure Approximations", J. Chem. Phys. 98, 9080 (1993).

  28. A. Yethiraj and C. K. Hall, "On Equations of State for Hard Chain Fluids", Molec. Phys. 80, 469 (1993).

  29. A. Yethiraj, "Local Structure of Tangent-Hard-Sphere Diatomic Fluids", Molec. Phys. 80, 695 (1993).

  30. C. E. Woodward and A. Yethiraj, "Density Functional Theory for Inhomogeneous Polymer Solutions", J. Chem. Phys. 100, 3181 (1994).

  31. R. Dickman and A. Yethiraj, "Polymer-Induced Interactions between Colloidal Particles: A Monte Carlo Simulation", J. Chem. Phys. 100, 4683 (1994).

  32. A. Yethiraj, S. Kumar, A. Hariharan, and K. S. Schweizer, "Surface Segregation in Polymer Blends Due to Stiffness Disparity", J. Chem. Phys. (Comm.) 100, 4691 (1994).

  33. C. Grayce, A. Yethiraj, and K. S. Schweizer, "Liquid-state Theory of the Density Dependent Conformation of Nonpolar Linear Polymers", J. Chem. Phys. 100, 6857 (1994).

  34. A. Yethiraj, "Monte Carlo Simulation of Confined Semiflexible Polymer Melts", J. Chem. Phys. 101, 2489 (1994).

  35. A. Yethiraj, R. Dickman, G. Szamel, M.L.Rosinberg, and E. Kierlik, "Local Structure and Orientational Correlations in Fluids Composed of Linear Triatomic Molecules", Molec. Phys. 82, 937 (1994).

  36. A. Yethiraj, "Monte Carlo Simulation of Semiflexible Hard Triatomic Fluids", Molec. Phys. 82, 957 (1994).

  37. A. Yethiraj, "The Effect of Chain Stiffness on the Conformational properties, Pair Correlations, and Equation of State of Polymer Melts", J. Chem. Phys., 101, 9104 (1994).

  38. S. Phan, E. Kierlik, M. L. Rosinberg, A. Yethiraj, and R. Dickman, "Perturbation Density Functional Theory and Monte Carlo Simulations for the Structure of Hard Trimer Fluids in Slit-like Pores", J. Chem. Phys. 102, 2141 (1995).

  39. C. Singh, K. S. Schweizer, and A. Yethiraj, "Fluctuation Phenomena in Structurally Symmetric Polymer Blends", J. Chem. Phys. 102, 2187 (1995).

  40. A. Yethiraj, "Entropic and Enthalpic Surface Segregation from Blends of Branched and Linear Polymers", Phys. Rev. Lett. 74, 2018 (1995).

  41. A. Yethiraj and C. E. Woodward, "Monte Carlo Density Functional Theory of Nonuniform Polymer Melts", J. Chem. Phys. 102, 5499 (1995).

  42. A. Yethiraj, "Monte Carlo Simulations for the Equation of State of Athermal Linear Alkanes", J. Chem. Phys. 102, 6874 (1995).

  43. A. Yethiraj, J. G. Curro, and J. J. Rajasekaran, "Thermodynamics and Local Structure of Vinyl Polymer Melts", J. Chem. Phys. 103, 2229 (1995).

  44. S. K. Kumar, A. Yethiraj, K. S. Schweizer, and F. A. M. Leermakers, "The Effects of Local Stiffness Disparity on the Surface Segregation From Binary Polymer Blends", J. Chem. Phys. 103, 10332 (1995).

  45. C. Y. Shew and A. Yethiraj, "Phase Behaviour of the Widom-Rowlinson Mixture", J. Chem. Phys. 104, 7665 (1996).

  46. A. Yethiraj, "Weighted Density Approximation for Polymer Melts", ACS Symposium Series 629, 274 (1996).

  47. S. A. Egorov, M. D. Stephens, A. Yethiraj, and J. L. Skinner, "Structure and Dynamics of Infinitely Dilute Solutions", Molec. Phys. 88, 477 (1996).

  48. R. S. Khare, J. J. de Pablo, and A. Yethiraj, "Rheology of Confined Polymer Melts", Macromolecules 29, 7910 (1996).

  49. A. Yethiraj and C. -Y. Shew, "Structure of Polyelectrolyte Solutions", Phys. Rev. Lett. 77, 3937 (1996).

  50. C. -Y. Shew and A. Yethiraj, "Integral Equation Theory of Solutions of Rigid Polyelectrolytes", J. Chem. Phys. 106, 5706 (1997).

  51. Ye Wen, A. Yethiraj, and J. C. Weisshaar, "Excited State Kinetics of Neutral Transition Metal Atoms by Stimulated Emission Pumping: V*(3d44s,a4D)+Hydrocarbons", J. Chem. Phys. 106, 5509 (1997).

  52. A. Yethiraj, "Conformational Properties and Static Structure Factor of Polyelectrolyte Solutions", Phys. Rev. Lett. 78, 3789 (1997).

  53. R. S. Khare, J.J. de Pablo, and A. Yethiraj, "Molecular Simulation and Continuum Mechanics Study of Simple Fluids in Non-Isothermal Planar Couette Flows", J. Chem. Phys. 107, 2589 (1997).

  54. R. S. Khare, J. J. de Pablo, and A. Yethiraj, "Rheological, Thermodynamic, and Structural Studies of Linear and Branched Alkanes under Shear", J. Chem. Phys. 107, 6956 (1997).

  55. A. Yethiraj, R. Khare, and J. J. de Pablo, "Dynamics of Polymers Confined to Molecularly Thin Films", Polym. Mater. Sci. Eng. 77, 642 (1997).

  56. A. Yethiraj, "Theory for Chain Conformations and Static Structure of Dilute and Semi-dilute Polyelectrolyte Solutions", J. Chem. Phys. 108, 1184 (1998).

  57. H. Fynewever and A. Yethiraj, "Phase Behaviour of Semiflexible Tangent Hard Sphere Chains", J. Chem. Phys. 108, 1636 (1998).

  58. A. Yethiraj and H. Fynewever, "Isotropic to Nematic Transition in Semiflexible Polymer Melts", Mol. Phys. 93, 693 (1998).

  59. J. G. Curro, J. D. Weinhold, J. D. McCoy, and A.Yethiraj, "The Structure of Amorphous Polymers Near Surfaces: Athermal Systems", Comput. and Theoretical Polym. Sci. 8, 159 (1998).

  60. A. Yethiraj, "Density Functional Theory of Polymers: A Curtin-Ashcroft Type Weighted Density Approximation", J. Chem. Phys.109, 3269 (1998).

  61. C.-Y. Shew and A. Yethiraj, "Ion Binding in Tobacco Mosaic Virus Solutions", J. Chem. Phys. 109, 5162 (1998).

  62. A. Yethiraj, "Theory of Polymer Melts and Blends", in Encyclopedia of Computational Chemistry, P.v.R. Schleyer, N. L. Allinger, T. Clark, P. Kollman, and H. F. Schaefer eds. (J. Wiley and Sons, New York, 1998).

  63. C. -Y. Shew and A. Yethiraj, "Conformational Properties of Isolated Polyelectrolytes in Poor Solvents", J. Chem. Phys. 110, 676 (1999).

  64. C.-Y. Shew and A. Yethiraj, "Monte Carlo Simulations and Self-consistent Integral Equation Theory for Flexible Polyelectrolyte Solutions", J. Chem. Phys. 110, 5437 (1999).

  65. A. Yethiraj, "Molecular Modelling of Polymers at Surfaces", Chemical Engineering Journal 3455, 1 (1999).

  66. C.-Y. Shew and A. Yethiraj, "Computer Simulations and Integral Equation Theory for the Structure of Salt-free Rigid Rod Polyelectrolyte Solutions: Explicit Incorporation of Counterions", J. Chem. Phys. 110, 11599 (1999).

  67. C. N. Patra, A. Yethiraj, and J. G. Curro, "The Effect of Attractions on the Structure of Fused-sphere Chains Confined Between Surfaces", J. Chem. Phys. 111, 1608 (1999).

  68. A. Yethiraj, "Forces between Surfaces Immersed in Polyelectrolyte Solutions", J. Chem. Phys. (Comm.) 111, 1797 (1999).

  69. C. N. Patra and A. Yethiraj, "Density Functional Theory for the Distribution of Small Ions around Charged Cylinders", J. Phys. Chem. B. 103, 6080 (1999).

  70. A. Yethiraj, "Theory and Simulation of Polymers at Surfaces", in New Approaches to Problems in Liquid State Theory, C. Caccamo, G. Stell, and J. -P. Hansen eds. (Kluwer Academic, Netherlands, 1999).

  71. A. Yethiraj, "Structure and Conformations of Polyelectrolyte Solutions", in New Approaches to Problems in Liquid State Theory, C. Caccamo, G. Stell, and J. -P. Hansen eds. (Kluwer Academic, Netherlands, 1999).

  72. R. S. Khare, J. J. de Pablo, and A. Yethiraj, "Response to "Comment on 'Molecular simulation and continuum mechanics study of simple fluids in nonisothermal planar Couette flows' " [J-Chem. Phys. 111, 10730 (1999)] ", J. Chem. Phys. 111, 10732 (1999).

  73. C. N. Patra and A. Yethiraj, "Generalized van der Waals Density Functional Theory for Non-uniform Polymers", J. Chem. Phys. 112, 1579 (2000).

  74. A. Yethiraj, "Integral Equation Theory for the Surface Segregation from Blends of Linear and Star Polymers", Comput.and Theoretc. Polym. Sci 10, 115 (2000).

  75. C. N. Patra and A. Yethiraj, "Density Functional Theory for the Non-specific Binding of Salt to Polyelectrolytes: Thermodynamic Properties", Biophysical Journal 78, 699 (2000)

  76. A. Yethiraj and G. Stell, "An Integral Equation Theory for the Widom-Rowlinson Mixture", J. Statistical Phys. 100, 39 (2000).

  77. S. A. Egorov, A. Yethiraj, and J. L. Skinner, "Local Density Enhancement in Dilute Supercritical Solutions", Chem. Phys. Lett. 317, 558 (2000).

  78. C. -Y. Shew and A. Yethiraj, "Self-consistent Integral Equation Theory for Semi-flexible Chain Polyelectrolyte Solutions", J. Chem. Phys. 113, 8841 (2000).

  79. C. -Y. Shew and A. Yethiraj, "The effect of acid-base equilibria on the fractional charge and conformational properties of polyelectrolyte solutions", J. Chem. Phys. 114, 2830 (2001).

  80. A.Yethiraj, H. Fynewever, and C. -Y. Shew, "Density Functional Theory for Pair Correlation Functions in Polymeric Liquids", J. Chem. Phys. 114, 4323 (2001).

  81. G. Srinivas, A. Yethiraj, and B. Bagchi, FRET by FET and Dynamics of Polymer Folding", J. Phys. Chem. B 105, 2475 (2001).

  82. R. S. Khare, J. J. de Pablo, and A. Yethiraj, "Viscoelastic Properties of Fluids Confined to Molecularly Thin Films", J. Chem. Phys. 114, 7593 (2001).

  83. R. W. Chang and A. Yethiraj, "Solvent Effects on the Collapse Dynamics of Polymers", J. Chem. Phys. 114, 7688 (2001).

  84. G. Srinivas, A. Yethiraj, and B. Bagchi, "Nonexponentiality of time dependent survival probability and the fractional viscosity dependence of the rate in diffusion controlled reactions", J. Chem. Phys. 114, 9170 (2001). [Erratum: J. Chem. Phys. 115, 6268 (2001).]

  85. Y. V. Kalyuzhnyi, C. T. Lin, G. Stell, and A. Yethiraj, "Structural and thermodynamic properties of a freely jointed Yukawa hard-sphere chain fluid", J. Mol. Liq. 92, 85 (2001).

  86. A. Yethiraj, "Polymer Melts at Solid Surfaces", Adv. Chem. Phys. 121, 89 (2002).

  87. R. W. Chang and A. Yethiraj, "Brownian dynamics simulations of salt-free polyelectrolyte solutions", J. Chem. Phys. 116, 5284 (2002).

  88. C. -Y. Shew and A. Yethiraj, "Integral equation theory for the structure of DNA solutions", J. Chem. Phys. 116, 5308 (2002).

  89. K. Jagannathan and A. Yethiraj, "Density functional theory and Monte Carlo simulations for hard sphere fluids in square and rectangular channels", J. Chem. Phys. 116, 5795 (2002).

  90. A. Yethiraj, "Integral equations for polymers in quenched random media", J. Chem. Phys. 116, 5910 (2002).

  91. K. Jagannathan, R. Chang, and A. Yethiraj, "A Monte Carlo Study of the Self-Assembly of Bacteriorhodopsin", Biophysical Journal 83, 1902 (2002).

  92. K. Miyazaki and A. Yethiraj, "Entanglement Effects in Mode-coupling Theories of Polymers", J. Chem. Phys. 117, 10448 (2002).

  93. M. Muller, L. G. MacDowell, and A. Yethiraj, "Short Chains at Surfaces and Interfaces: A Quantitative Comparison between Self-consistent Field Density Functional Theories and Monte Carlo Simulations", J. Chem. Phys. 118, 2929 (2003).

  94. A. Yethiraj, "Osmotic Pressure of Isotropic Solutions of Rod-like Polymers", J. Chem. Phys. 118, 3904 (2003).

  95. C. N. Patra and A. Yethiraj, "Density Functional Theory for Non-uniform Polymers: Accurate Treatment of the Effect of Attractive Interactions", J. Chem. Phys. 118, 4702 (2003).

  96. R. Chang and A. Yethiraj, "Strongly Charged Flexible Polyelectrolytes in Poor Solvents: Molecular Dynamics Simulations with Explicit Solvent", J. Chem. Phys. 118, 6634 (2003).

  97. K. Jagannathan and A. Yethiraj, "Monte Carlo Simulations for the Phase Behaviour of Symmetric Non-Additive Hard Sphere Mixtures", J. Chem. Phys. 118, 7907 (2003).

  98. R. Chang and A. Yethiraj, "Brownian Dynamics Simulations of Polyelectrolyte Solutions with Divalent Counterions", J. Chem. Phys. 118, 11315 (2003).

  99. A. Yethiraj, "Computer Simulation Study of Two-dimensional Polymer Solutions", Macromolecules 36, 5854 (2003).

  100. B. J. Sung and A. Yethiraj, "Monte Carlo Simulations and Integral Equation Theory for the Structure of Telechelic Polymers", J. Chem. Phys. 119, 6916 (2003).

  101. R. Chang and A. Yethiraj, "The Behavior of Salt-free Polyelectrolyte Solutions at Charged Surfaces", Progress in Organic Coatings 47, 331 (2003).

  102. G. Reddy, C. P. Lawrence, J. L. Skinner, and A. Yethiraj, "Liquid state theories for the structure of water", J. Chem. Phys. 119, 13012 (2003).

  103. R. Chang, K. Jagannathan, and A. Yethiraj, "Diffusion of hard sphere fluids in disordered media: A discontinuous molecular dynamics simulation study", Phys. Rev. E 69, 051101 (2004).

  104. K. Jagannathan and A. Yethiraj, "Molecular dynamics simulation of a fluid near its critical point", Phys. Rev. Lett. 93,15701 (2004). press).

  105. C. N. Patra, R. Chang, and A. Yethiraj, "Structure of polyelectrolyte solutions at a charged surface", J. Phys.Chem.B 108, 9126 (2004).

  106. G. Reddy and A. Yethiraj, "The behaviour of fluids near solutes: A density functional theory and computer simulation study", J. Chem. Phys. 121, 4203 (2004).

  107. K. Miyazaki, B. Bagchi, and A. Yethiraj, "Self-consistent Mode-Coupling Theory for the Viscosity of Rod-like Polyelectrolyte Solutions", J. Chem. Phys. 121, 8120 (2004).

  108. R. Chang and A. Yethiraj, "Osmotic pressure of salt-free polyelectrolyte solutions: A Monte Carlo simulation study", Macromolecules 38, 607 (2005).

  109. K. Jagannathan, G. Reddy, and A. Yethiraj. "Integral equation theory for symmetric nonadditive hard sphere mixtures", J. Phys. Chem. B 109, 6764 (2005).

  110. B. J. Sung and A. Yethiraj, "Integral equation theory for random copolymer melts", Macromolecules 38, 2000 (2005).

  111. A. Yethiraj, B. J. Sung, and F. Lado, "Integral Equation Theory for Two-dimensional Polymer Melts", J. Chem. Phys. 122, 094910 (2005).

  112. K. Jagannathan and A. Yethiraj. "Reply to Comment on "Molecular Dynamics Simulations of a Fluid near Its Critical Point", Phys. Rev. Lett. 94, 69602 (2005).

  113. B. J. Sung and A. Yethiraj, "Integral equation theory of random copolymer melts: Self-consistent treatment of intra-molecular and inter-molecular correlations", J. Chem. Phys. 122, 234904 (2005).

  114. K. Jagannathan and A. Yethiraj, "Dynamics of fluids near the consolute critical point: A molecular dynamics study of the Widom-Rowlinson mixture", J. Chem. Phys. 122, 244506 (2005).

  115. B. J. Sung and A. Yethiraj, "Monte Carlo simulations and self-consistent integral equation theory for polymers in quenched random media", J. Chem. Phys. 123, 074909 (2005).

  116. B. J. Sung and A. Yethiraj, "Molecular dynamics simulations of non-classical kinetics in reversible diffusion-controlled bimolecular reactions", J. Chem. Phys. 123, 114503 (2005).

  117. B. J. Sung and A. Yethiraj, "Integral equation theory for randomly coupled mutliblock copolymer melts: Effect of block size on the phase behavior", J. Chem. Phys. 123, 214901 (2005)

  118. S. Link, W-S. Chang, A. Yethiraj, and P. F. Barbara, "Orthogonal Orientations for Solvation of Polymer Molecules in Smectic Solvents", Phys. Rev. Lett. 96, 017801 (2006).

  119. R. Chang and A. Yethiraj, "Dilute solutions of strongly charged flexible polyelectrolytes in poor solvents: Molecular dynamics simulations with explicit solvent", Macromolecules 39, 821-828 (2006).

  120. R. Chang and A. Yethiraj, "Dynamics of chain molecules in disordered materials", Phys. Rev. Lett. 96, 107802 (2006).

  121. R. Khare, P. Keblinski, and A. Yethiraj, "Molecular dynamics simulations of heat and momentum transfer at a solid-fluid interface: Relationship between thermal and velocity slip", Int J. Heat and Mass Transfer 49, 3401 (2006).

  122. Y. Tang, G. Cao. X. Chen, J. Yoo, A. Yethiraj, and Q. Cui, "A finite element framework for studying the mechanical response of macromolecules: Application to the gating of the mechanosensitive channel, MscL", Biophysical J. 91, 1248 (2006).

  123. G. Reddy, R. Chang, and A. Yethiraj, "Adsorption and dynamics of a single polyelectrolyte chain near a planar charged surface: Molecular dynamics simulations with explicit solvent", J. Chem. Theor. And Comput. 2, 630-636 (2006).

  124. B. J. Sung and A. Yethiraj, "Lateral Diffusion and Percolation in Membranes", Phys. Rev. Lett. 96, 228103 (2006).

  125. S. Link, W-S. Chang, A. Yethiraj, and P. F. Barbara, "Anisotropic Diffusion of Elongated and Aligned Polymer Chains in a Nematic Solvent", J. Phys. Chem. B 110, 19799-19803 (2006).

  126. K. Jagannathan, B. J. Sung, and A. Yethiraj, "Dynamics of probes in model glassy matrices", Phys. Rev. Lett. 97, 145503 (2006).

  127. G. Reddy and A. Yethiraj, "Implicit and explicit solvent models for the computer simulation of dilute polymer solutions", Macromolecules 39 , 8536-8542 (2006).

  128. A. Yethiraj, "A Monte Carlo simulation study of branched polymers", J. Chem. Phys. 125, 204901 (2006).

  129. P. F. Barbara, W.-S. Chang, S. Link, G.D. Scholes, and A. Yethiraj. "Structure and dynamics of conjugated polymers in liquid crystalline solvents", Ann Rev. Phys. Chem. 58, 565--584 (2007).

  130. B. J. Sung and A. Yethiraj, "Permeation of a hard sphere fluid into a quenched matrix", J. Chem. Phys. 126, 034704 (2007)

  131. R. Chang and A. Yethiraj, "Structure and dynamics of chain molecules in disordered porous materials: A molecular dynamics simulation study", J. Chem. Phys. 96, 174906 (2007).

  132. J. Moorthy, R. Burgess, A. Yethiraj, and D. Beebe, "Microfluidic based platform for characterization of protein interactions in hydrogel nano-environments", Anal. Chem. 79, 5322-5327 (2007).

  133. X. Zhu, A. Yethiraj, and Q. Cui, "Establishing effective simulation protocols for alpha and alpha/beta mixed peptides. I. QM and QM/MM models", J. Chem. Theory and Comput. 3, 1538-1549 (2007).

  134. A. Yethiraj and J. C. Weisshaar, "Why are lipid rafts not observed in vivo?", Biophysical J. 93,3113-3119 (2007).

  135. B. J. Sung and A. Yethiraj, "Lateral diffusion of proteins in the plasma membrane: Spatial tessellation and percolation theory", J. Phys. Chem. B 112, 143-149 (2008)

  136. W. -S. Chang, S. Link, A. Yethiraj, and P. F. Barbara. "Single molecule spectroscopy of conjugated polymer chains in an elecric field-aligned liquid crystal", J. Phys. Chem. B 112, 448-453(2008)

  137. J. S.Kim and A. Yethiraj, "Diffusive anamoly of water in aqueous Sodium Chloride solutions at low temperature", J. Phys. Chem. B 112, 1729-1735 (2008).

  138. B. J. Sung and A. Yethiraj, "The effect of matrix structure on the diffusion of fluids in porous media", J. Chem. Phys. 128, 054702 (2008)

  139. V. Padmanabhan, S. K. Kumar, and A. Yethiraj, "Phase behavior of semi-flexible polymer chains", J. Chem. Phys. 128 124908 (2008).

  140. X. Zhu, A. Yethiraj, and Q. Cui, "Establishing effective simulation protocols for alpha and alpha/beta mixed peptides. II. Molecular Mechanical (MM) model for a cyclic ƒÀ-residue", J. Phys. Chem. B 112, 5439-5448 (2008).