All Faculty and Research Staff Publications

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2005
Jagannathan K, Yethiraj A. Comment on "molecular dynamics simulations of a fluid near its critical point" - Jagannathan and Yethiraj reply - art. no. 069602. Physical Review Letters. 2005 ;9406:9602.
Jagannathan K, Yethiraj A. Dynamics of fluids near the consolute critical point: A molecular-dynamics study of the Widom-Rowlinson mixture - art. no. 244506. Journal of Chemical Physics. 2005 ;122:44506.
Jagannathan K, Reddy G, Yethiraj A. Integral equation theory for symmetric nonadditive hard sphere mixtures. Journal of Physical Chemistry BJournal of Physical Chemistry B. 2005 ;109:6764-6768.
Yethiraj A, Sung BJ, Lado F. Integral equation theory for two-dimensional polymer melts - art. no. 094910. Journal of Chemical Physics. 2005 ;122:94910.
Sung BJ, Yethiraj A. Integral equation theory of random copolymer melts. Macromolecules. 2005 ;38:2000-2008.
Sung BJ, Yethiraj A. Integral equation theory of random copolymer melts: Self-consistent treatment of intramolecular and intermolecular correlations - art. no. 234904. Journal of Chemical Physics. 2005 ;122:34904.
Sung BJ, Yethiraj A. Integral equation theory of randomly coupled multiblock copolymer melts: Effect of block size on the phase behavior - art. no. 214901. Journal of Chemical Physics. 2005 ;123.
Sung BJ, Yethiraj A. Molecular-dynamics simulations for nonclassical kinetics of diffusion-controlled bimolecular reactions - art. no. 114503. Journal of Chemical Physics. 2005 ;123:14503.
Sung BJ, Yethiraj A. Monte Carlo simulation and self-consistent integral equation theory for polymers in quenched random media - art. no. 074909. Journal of Chemical Physics. 2005 ;123:74909.
Chang R, Yethiraj A. Osmotic pressure of salt-free polyelectrolyte solutions: A Monte Carlo simulation study. Macromolecules. 2005 ;38:607-616.
2003
Chang R, Yethiraj A. The behavior of salt-free polyelectrolyte solutions at charged surfaces. Progress in Organic Coatings. 2003 ;47:331-336.
Chang RW, Yethiraj A. Brownian dynamics simulations of polyelectrolyte solutions with divalent counterions. Journal of Chemical Physics. 2003 ;118:11315-11325.
Yethiraj A. Computer simulation study of two-dimensional polymer solutions. Macromolecules. 2003 ;36:5854-5862.
Patra CN, Yethiraj A. Density functional theory for nonuniform polymers: Accurate treatment of the effect of attractive interactions. Journal of Chemical Physics. 2003 ;118:4702-4706.
Reddy G, Lawrence CP, Skinner JL, Yethiraj A. Liquid state theories for the structure of water. Journal of Chemical Physics. 2003 ;119:13012-13016.
Sung BJ, Yethiraj A. Monte Carlo simulations and integral equation theory for the structure of telechelic polymers. Journal of Chemical Physics. 2003 ;119:6916-6924.
Jagannathan K, Yethiraj A. Monte Carlo simulations for the phase behavior of symmetric nonadditive hard sphere mixtures. Journal of Chemical Physics. 2003 ;118:7907-7911.
Yethiraj A. Osmotic pressure of isotropic solutions of rodlike polymers. Journal of Chemical Physics. 2003 ;118:3904-3905.
Muller M, MacDowell LG, Yethiraj A. Short chains at surfaces and interfaces: A quantitative comparison between density-functional theories and Monte Carlo simulations. Journal of Chemical Physics. 2003 ;118:2929-2940.
Chang RW, Yethiraj A. Strongly charged flexible polyelectrolytes in poor solvents: Molecular dynamics simulations with explicit solvent. Journal of Chemical Physics. 2003 ;118:6634-6647.
2001
Yethiraj A, Fynewever H, Shew CY. Density functional theory for pair correlation functions in polymeric liquids. Journal of Chemical Physics. 2001 ;114:4323-4330.
Shew CY, Yethiraj A. The effect of acid-base equilibria on the fractional charge and conformational properties of polyelectrolyte solutions. Journal of Chemical Physics. 2001 ;114:2830-2838.
Srinivas G, Yethiraj A, Bagchi B. Erratum: "Nonexponentiality of time dependent survival probability and the fractional viscosity dependence of the rate in diffusion controlled reactions in a polymer chain" (vol 114, pg 9170, 2001). Journal of Chemical Physics. 2001 ;115:6268-6268.
Srinivas G, Yethiraj A, Bagchi B. FRET by FET and dynamics of polymer folding. Journal of Physical Chemistry B. 2001 ;105:2475-2478.
Khare R, de Pablo J, Yethiraj A. Molecular simulation and continuum mechanics investigation of viscoelastic properties of fluids confined to molecularly thin films. Journal of Chemical Physics. 2001 ;114:7593-7601.
Srinivas G, Yethiraj A, Bagchi B. Nonexponentiality of time dependent survival probability and the fractional viscosity dependence of the rate in diffusion controlled reactions in a polymer chain. Journal of Chemical Physics. 2001 ;114:9170-9178.
Chang RW, Yethiraj A. Solvent effects on the collapse dynamics of polymers. Journal of Chemical Physics. 2001 ;114:7688-7699.
Kalyuzhnyi YV, Lin CT, Stell G, Yethiraj A. Structural and thermodynamic properties of a freely-jointed Yukawa hard-sphere chain fluid. Journal of Molecular Liquids. 2001 ;92:85-96.

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