Publications

Found 196 results
2007
Moorthy J, Burgess R, Yethiraj A., Beebe D.  2007.  Microfluidic based platform for characterization of protein interactions in hydrogel nanoenvironments. Analytical Chemistry. 79:5322-5327.
Sung BJune, Yethiraj A..  2007.  Permeation of a hard sphere fluid into a quenched matrix. Journal of Chemical Physics. 126
Barbara P.F, Chang W.S, Link S., Scholes G.D, Yethiraj A..  2007.  Structure and dynamics of conjugated polymers in liquid crystalline solvents. Annual Review of Physical Chemistry. 58:565-584.
Chang R, Yethiraj A..  2007.  Structure and dynamics of short chain molecules in disordered porous materials: A molecular dynamics simulation study. Journal of Chemical Physics. 126
2006
Reddy G., Chang R.W, Yethiraj A..  2006.  Adsorption and dynamics of a single polyelectrolyte chain near a planar charged surface: Molecular dynamics simulations with explicit solvent. Journal of Chemical Theory & Computation. 2:630-636.
Link S., Chang W.S, Yethiraj A., Barbara P.F.  2006.  Anisotropic diffusion of elongated and aligned polymer chains in a nematic solvent. Journal of Physical Chemistry B. 110:19799.
Chang R.W, Yethiraj A..  2006.  Dilute solutions of strongly charged flexible polyelectrolytes in poor solvents: Molecular dynamics simulations with explicit solvent. Macromolecules. 39:821-828.
Chang R.W, Yethiraj A..  2006.  Dynamics of chain molecules in disordered materials. Physical Review Letters. 9610
Jagannathan K., Sung B.J, Yethiraj A..  2006.  Dynamics of probes in model glassy matrices. Physical Review Letters. 97
Reddy G., Yethiraj A..  2006.  Implicit and explicit solvent models for the simulation of dilute polymer solutions. Macromolecules. 39:8536.
Sung B.J, Yethiraj A..  2006.  Lateral diffusion and percolation in membranes. Physical Review Letters. 96
Khare R., Keblinski P., Yethiraj A..  2006.  Molecular dynamics simulations of heat and momentum transfer at a solid-fluid interface: Relationship between thermal and velocity slip. International Journal of Heat and Mass Transfer. 49:3401.
Link S., Chang W.S, Yethiraj A., Barbara P.F.  2006.  Orthogonal orientations for solvation of polymer molecules in smectic solvents - art. no. 017801. Physical Review Letters. 9601:7801.
2005
Jagannathan K., Yethiraj A..  2005.  Comment on "molecular dynamics simulations of a fluid near its critical point" - Jagannathan and Yethiraj reply - art. no. 069602. Physical Review Letters. 9406:9602.
Jagannathan K., Yethiraj A..  2005.  Dynamics of fluids near the consolute critical point: A molecular-dynamics study of the Widom-Rowlinson mixture - art. no. 244506. Journal of Chemical Physics. 122:44506.
Jagannathan K., Reddy G., Yethiraj A..  2005.  Integral equation theory for symmetric nonadditive hard sphere mixtures. Journal of Physical Chemistry B. 109:6764-6768.
Yethiraj A., Sung B.J, Lado F..  2005.  Integral equation theory for two-dimensional polymer melts - art. no. 094910. Journal of Chemical Physics. 122:94910.
Sung B.J, Yethiraj A..  2005.  Integral equation theory of random copolymer melts. Macromolecules. 38:2000-2008.
Sung B.J, Yethiraj A..  2005.  Integral equation theory of random copolymer melts: Self-consistent treatment of intramolecular and intermolecular correlations - art. no. 234904. Journal of Chemical Physics. 122:34904.
Sung B.J, Yethiraj A..  2005.  Integral equation theory of randomly coupled multiblock copolymer melts: Effect of block size on the phase behavior - art. no. 214901. Journal of Chemical Physics. 123
Sung B.J, Yethiraj A..  2005.  Molecular-dynamics simulations for nonclassical kinetics of diffusion-controlled bimolecular reactions - art. no. 114503. Journal of Chemical Physics. 123:14503.
Sung B.J, Yethiraj A..  2005.  Monte Carlo simulation and self-consistent integral equation theory for polymers in quenched random media - art. no. 074909. Journal of Chemical Physics. 123:74909.
Chang R., Yethiraj A..  2005.  Osmotic pressure of salt-free polyelectrolyte solutions: A Monte Carlo simulation study. Macromolecules. 38:607-616.
2004
Reddy G., Yethiraj A..  2004.  The behavior of fluids near solutes: A density functional theory and computer simulation study. Journal of Chemical Physics. 121:4203-4209.
Chang R.W, Jagannathan K., Yethiraj A..  2004.  Diffusion of hard sphere fluids in disordered media: A molecular dynamics simulation study - art. no. 051101. Physical Review E. 6905:1101.
Jagannathan K., Yethiraj A..  2004.  Molecular dynamics simulations of a fluid near its critical point - art. no. 015701. Physical Review Letters. 9301:5701.
Miyazaki K., Bagchi B., Yethiraj A..  2004.  Self-consistent mode-coupling theory for the viscosity of rodlike polyelectrolyte solutions. Journal of Chemical Physics. 121:8120-8127.
Patra C.N, Chang R., Yethiraj A..  2004.  Structure of polyelectrolyte solutions at a charged surface. Journal of Physical Chemistry B. 108:9126-9132.
2003
Chang R., Yethiraj A..  2003.  The behavior of salt-free polyelectrolyte solutions at charged surfaces. Progress in Organic Coatings. 47:331-336.
Chang R.W, Yethiraj A..  2003.  Brownian dynamics simulations of polyelectrolyte solutions with divalent counterions. Journal of Chemical Physics. 118:11315-11325.
Yethiraj A..  2003.  Computer simulation study of two-dimensional polymer solutions. Macromolecules. 36:5854-5862.
Patra C.N, Yethiraj A..  2003.  Density functional theory for nonuniform polymers: Accurate treatment of the effect of attractive interactions. Journal of Chemical Physics. 118:4702-4706.
Reddy G., Lawrence C.P, Skinner J.L, Yethiraj A..  2003.  Liquid state theories for the structure of water. Journal of Chemical Physics. 119:13012-13016.
Sung B.J, Yethiraj A..  2003.  Monte Carlo simulations and integral equation theory for the structure of telechelic polymers. Journal of Chemical Physics. 119:6916-6924.
Jagannathan K., Yethiraj A..  2003.  Monte Carlo simulations for the phase behavior of symmetric nonadditive hard sphere mixtures. Journal of Chemical Physics. 118:7907-7911.
Yethiraj A..  2003.  Osmotic pressure of isotropic solutions of rodlike polymers. Journal of Chemical Physics. 118:3904-3905.
Muller M., MacDowell L.G, Yethiraj A..  2003.  Short chains at surfaces and interfaces: A quantitative comparison between density-functional theories and Monte Carlo simulations. Journal of Chemical Physics. 118:2929-2940.
Chang R.W, Yethiraj A..  2003.  Strongly charged flexible polyelectrolytes in poor solvents: Molecular dynamics simulations with explicit solvent. Journal of Chemical Physics. 118:6634-6647.
2002
Chang R.W, Yethiraj A..  2002.  Brownian dynamics simulations of salt-free polyelectrolyte solutions. Journal of Chemical Physics. 116:5284-5298.
Jagannathan K., Yethiraj A..  2002.  Density functional theory and Monte Carlo simulations for hard sphere fluids in square and rectangular channels. Journal of Chemical Physics. 116:5795-5800.

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