Publications

Mantha S, McDaniel JG, Perroni DV, Mahanthappa MK, Yethiraj A. Electrostatic Interactions Govern "Odd/Even" Effects in Water-Induced Gemini Surfactant Self-Assembly. Journal of Physical Chemistry B. 2017;121:565-576.
Palit S, He LL, Hamilton WA, Yethiraj A, Yethiraj A. Combining Diffusion NMR and Small-Angle Neutron Scattering Enables Precise Measurements of Polymer Chain Compression in a Crowded Environment. Physical Review Letters. 2017;118.
Palit S, He LL, Hamilton WA, Yethiraj A, Yethiraj A. Combining Diffusion NMR and Small-Angle Neutron Scattering Enables Precise Measurements of Polymer Chain Compression in a Crowded Environment. Physical Review Letters. 2017;118.
McDaniel JG, Yethiraj A. Coupling between the Dynamics of Water and Surfactants in Lyotropic Liquid Crystals. Journal of Physical Chemistry B. 2017;121:5048-5057.
Kim SA, Jeong K-J, Yethiraj A, Mahanthappa MK. Low-symmetry sphere packings of simple surfactant micelles induced by ionic sphericity. Proceedings of the National Academy of Sciences of the United States of America. 2017;114:4072-4077.
McDaniel JG, Yethiraj A. Coupling between the Dynamics of Water and Surfactants in Lyotropic Liquid Crystals. Journal of Physical Chemistry B. 2017;121:5048-5057.
Palit S, He LL, Hamilton WA, Yethiraj A, Yethiraj A. The effect of crowder charge in a model polymer-colloid system for macromolecular crowding: Polymer structure and dynamics. Journal of Chemical Physics. 2017;147.
Palit S, He LL, Hamilton WA, Yethiraj A, Yethiraj A. The effect of crowder charge in a model polymer-colloid system for macromolecular crowding: Polymer structure and dynamics. Journal of Chemical Physics. 2017;147.
McDaniel JG, Yethiraj A. Proton Diffusion through Bilayer Pores. Journal of Physical Chemistry B. 2017;121:9247-9259.
Son CY, Yethiraj A, Cui Q. Cavity hydration dynamics in cytochrome c oxidase and functional implications. Proceedings of the National Academy of Sciences of the United States of America. 2017;114:E8830-E8836.
McDaniel JG, Choi E, Son CY, Schmidt JR, Yethiraj A. Conformational and Dynamic Properties of Poly(ethylene oxide) in an Ionic Liquid: Development and Implementation of a First-Principles Force Field. Journal of Physical Chemistry B. 2016;120:231-243.
Oh Y, Kim J, Yethiraj A, Sung BJ. Swing motion as a diffusion mechanism of lipid bilayers in a gel phase. Physical Review E. 2016;93.
Roy S, Skoff D, Perroni DV, Mondal J, Yethiraj A, Mahanthappa MK, et al.. Water Dynamics in Gyroid Phases of Self-Assembled Gemini Surfactants. Journal of the American Chemical Society. 2016;138:2472-2475.
Mantha S, Yethiraj A. Dynamics of water confined in lyotropic liquid crystals: Molecular dynamics simulations of the dynamic structure factor. Journal of Chemical Physics. 2016;144.
Bai H, Xue RH, Bao H, Zhang LL, Yethiraj A, Cui Q, et al.. Different states of synaptotagmin regulate evoked versus spontaneous release. Nature Communications. 2016;7.
McDaniel JG, Yethiraj A. Importance of hydrophobic traps for proton diffusion in lyotropic liquid crystals. Journal of Chemical Physics. 2016;144.
Son CY, McDaniel JG, Schmidt JR, Cui Q, Yethiraj A. First-Principles United Atom Force Field for the Ionic Liquid BMIM+BF4-: An Alternative to Charge Scaling. Journal of Physical Chemistry B. 2016;120:3560-3568.
McDaniel JG, Choi E, Son CY, Schmidt JR, Yethiraj A. Ab Initio Force Fields for Imidazolium-Based Ionic Liquids. Journal of Physical Chemistry B. 2016;120:7024-7036.
Zhang LL, Rajendram M, Weibel DB, Yethiraj A, Cui Q. Ionic Hydrogen Bonds and Lipid Packing Defects Determine the Binding Orientation and Insertion Depth of RecA on Multicomponent Lipid Bilayers. Journal of Physical Chemistry B. 2016;120:8424-8437.
Yethiraj A. Structure of room temperature ionic liquids. Journal of Physics-Condensed Matter. 2016;28.
McDaniel JG, Mantha S, Yethiraj A. Dynamics of Water in Gemini Surfactant-Based Lyotropic Liquid Crystals. Journal of Physical Chemistry B. 2016;120:10860-10868.
Choi E, Yethiraj A. Entropic Mechanism for the Lower Critical Solution Temperature of Poly(ethylene oxide) in a Room Temperature Ionic Liquid. Acs Macro Letters. 2015;4:799-803.
Choi E, Yethiraj A. Conformational Properties of a Polymer in an Ionic Liquid: Computer Simulations and Integral Equation Theory of a Coarse-Grained Model. Journal of Physical Chemistry B. 2015;119:9091-9097.
Mantha S, Yethiraj A. Conformational Properties of Sodium Polystyrenesulfonate in Water: Insights from a Coarse-Grained Model with Explicit Solvent. Journal of Physical Chemistry B. 2015;119:11010-11018.
Chang R, Kim Y, Yethiraj A. Osmotic Pressure of Polyelectrolyte Solutions with Salt: Grand Canonical Monte Carlo Simulation Studies. Macromolecules. 2015;48:7370-7377.
Rajendram M, Zhang LL, Reynolds BJ, Auer GK, Tuson HH, Ngo KV, et al.. Anionic Phospholipids Stabilize RecA Filament Bundles in Escherichia coli. Molecular Cell. 2015;60:374-384.
Zhang LL, Yethiraj A, Cui Q. Free Energy Calculations for the Peripheral Binding of Proteins/Peptides to an Anionic Membrane. 1. Implicit Membrane Models. Journal of Chemical Theory and Computation. 2014;10:2845-2859.
Kwon G, Sung BJ, Yethiraj A. Dynamics in Crowded Environments: Is Non-Gaussian Brownian Diffusion Normal?. Journal of Physical Chemistry B. 2014;118:8128-8134.
Choi E, McDaniel JG, Schmidt JR, Yethiraj A. First-Principles, Physically Motivated Force Field for the Ionic Liquid BMIM BF4. Journal of Physical Chemistry Letters. 2014;5:2670-2674.
Mondal J, Choi E, Yethiraj A. Atomistic Simulations of Poly(ethylene oxide) in Water and an Ionic Liquid at Room Temperature. Macromolecules. 2014;47:438-446.
Choi E, Mondal J, Yethiraj A. Coarse-Grained Models for Aqueous Polyethylene Glycol Solutions. Journal of Physical Chemistry B. 2014;118:323-329.
Yethiraj A, Striolo A. Fracking: What Can Physical Chemistry Offer?. Journal of Physical Chemistry Letters. 2013;4:687-690.
Wu Z, Cui Q, Yethiraj A. Why Do Arginine and Lysine Organize Lipids Differently? Insights from Coarse-Grained and Atomistic Simulations. Journal of Physical Chemistry B. 2013;117:12145-12156.
Sung BJ, Yethiraj A. Dynamics of two-dimensional and quasi-two-dimensional polymers. Journal of Chemical Physics. 2013;138.
Mondal J, Mahanthappa MK, Yethiraj A. Self-Assembly of Gemini Surfactants: A Computer Simulation Study. Journal of Physical Chemistry B. 2013;117:4254-4262.
Cui Q, Zhang LL, Wu Z, Yethiraj A. Generation and sensing of membrane curvature: Where materials science and biophysics meet. Current Opinion in Solid State & Materials Science. 2013;17:164-174.
Park S, Zhu X, Yethiraj A. Atomistic Simulations of Dilute Polyelectrolyte Solutions. Journal of Physical Chemistry B. 2012;116:4319-4327.
Mondal J, Yethiraj A. Effect of secondary structure on the self-assembly of amphiphilic molecules: A multiscale simulation study. Journal of Chemical Physics. 2012;136.
Cho HW, Kwon G, Sung BJ, Yethiraj A. Effect of Polydispersity on Diffusion in Random Obstacle Matrices. Physical Review Letters. 2012;109.
Mondal J, Zhu X, Cui Q, Yethiraj A. Sequence-Dependent pK(a) Shift Induced by Molecular Self-Assembly: Insights from Computer Simulation. Journal of Physical Chemistry B. 2012;116:491-495.
Kim JS, Wu Z, Morrow AR, Yethiraj A, Yethiraj A. Self-Diffusion and Viscosity in Electrolyte Solutions. Journal of Physical Chemistry B. 2012;116:12007-12013.
Wu Z, Cui Q, Yethiraj A. A New Coarse-Grained Force Field for Membrane-Peptide Simulations. Journal of Chemical Theory and Computation. 2011;7:3793-3802.
Wu Z, Cui Q, Yethiraj A. Driving Force for the Association of Hydrophobic Peptides: The Importance of Electrostatic Interactions in Coarse-Grained Water Models. Journal of Physical Chemistry Letters. 2011;2:1794-1798.
Mondal J, Yethiraj A. Driving Force for the Association of Amphiphilic Molecules. Journal of Physical Chemistry Letters. 2011;2:2391-2395.
Mondal J, Bratton BP, Li Y, Yethiraj A, Weisshaar JC. Entropy-Based Mechanism of Ribosome-Nucleoid Segregation in E. coli Cells. Biophysical Journal. 2011;100:2605-2613.
Kim JS, Yethiraj A. Crowding Effects on Protein Association: Effect of Interactions between Crowding Agents. Journal of Physical Chemistry B. 2011;115:347-353.
Jung HT, Sung BJ, Yethiraj A. The Influence of the Polymer Chain Stiffness on Tracer Diffusion in Polymeric Matrices. Journal of Polymer Science Part B-Polymer Physics. 2011;49:818-825.
Frischknecht AL, Yethiraj A. Two- and three-body interactions among nanoparticles in a polymer melt. Journal of Chemical Physics. 2011;134.
Zhu X, Koenig P, Hoffmann M, Yethiraj A, Cui Q. Establishing Effective Simulation Protocols for beta- and alpha/beta-Peptides. III. Molecular Mechanical Model for Acyclic beta-Amino Acids. Journal of Computational Chemistry. 2010;31:2063-2077.
Wu Z, Cui Q, Yethiraj A. A New Coarse-Grained Model for Water: The Importance of Electrostatic Interactions. Journal of Physical Chemistry B. 2010;114:10524-10529.
Sung BJ, Yethiraj A. Structure of void space in polymer solutions. Physical Review E. 2010;81.
Reddy G, Yethiraj A. Solvent effects in polyelectrolyte adsorption: Computer simulations with explicit and implicit solvent. Journal of Chemical Physics. 2010;132.
Mondal J, Zhu X, Cui Q, Yethiraj A. Sequence-Dependent Interaction of beta-Peptides with Membranes. Journal of Physical Chemistry B. 2010;114:13585-13592.
Mondal J, Zhu X, Cui Q, Yethiraj A. Self-Assembly of beta-Peptides: Insight from the Pair and Many-Body Free Energy of Association. Journal of Physical Chemistry C. 2010;114:13551-13556.
Mondal J, Sung BJ, Yethiraj A. Sequence dependent self-assembly of beta-peptides: Insights from a coarse-grained model. Journal of Chemical Physics. 2010;132.
Kim JS, Yethiraj A. Crowding Effects on Association Reactions at Membranes. Biophysical Journal. 2010;98:951-958.
Yethiraj A. Liquid State Theory of Polyelectrolyte Solutions. Journal of Physical Chemistry B. 2009;113:1539-1551.
Tang Y, Chen X, Yoo J, Yethiraj A, Cui Q. Numerical Simulation of Nanoindentation and Patch Clamp Experiments on Mechanosensitive Channels of Large Conductance in Escherichia coli. Experimental Mechanics. 2009;49:35-46.
Sung BJ, Yethiraj A. Computer Simulations of Protein Diffusion in Compartmentalized Cell Membranes. Biophysical Journal. 2009;97:472-479.
Sung BJ, Chang RW, Yethiraj A. Swelling of polymers in porous media. Journal of Chemical Physics. 2009;130.
Mondal J, Sung BJ, Yethiraj A. Sequence-Directed Organization of beta-Peptides in Self-Assembled Monolayers. Journal of Physical Chemistry B. 2009;113:9379-9385.
Ma L, Yethiraj A, Chen X, Cui Q. A Computational Framework for Mechanical Response of Macromolecules: Application to the Salt Concentration Dependence of DNA Bendability. Biophysical Journal. 2009;96:3543-3554.
Kim JS, Yethiraj A. Effect of Macromolecular Crowding on Reaction Rates: A Computational and Theoretical Study. Biophysical Journal. 2009;96:1333-1340.
Kim JS, Damodaran S, Yethiraj A. Retardation of Ice Crystallization by Short Peptides. Journal of Physical Chemistry A. 2009;113:4403-4407.
Tang YY, Yoo J, Yethiraj A, Cui Q, Chen X. Mechanosensitive channels: Insights from continuum-based simulations. Cell Biochemistry and Biophysics. 2008;52:1-18.
Tang Y, Yoo J, Yethiraj A, Cui Q, Chen X. Gating mechanisms of mechanosensitive channels of large conductance, II: Systematic study of conformational transitions. Biophysical Journal. 2008;95:581-596.
Sung BJ, Yethiraj A. The effect of matrix structure on the diffusion of fluids in porous media. Journal of Chemical Physics. 2008;128.
Sung BJ, Yethiraj A. Lateral diffusion of proteins in the plasma membrane: Spatial tessellation and percolation theory. Journal of Physical Chemistry B. 2008;112:143-149.
Padmanabhan V, Kumar SK, Yethiraj A. Phase behavior of semiflexible polymer chains. Journal of Chemical Physics. 2008;128.
Kim JS, Yethiraj A. The effect of salt on the melting of ice: A molecular dynamics simulation study. Journal of Chemical Physics. 2008;129.
Kim JS, Yethiraj A. A diffusive anomaly of water in aqueous sodium chloride solutions at low temperatures. Journal of Physical Chemistry B. 2008;112:1729-1735.
Chen X, Cui Q, Tang Y, Yoo J, Yethiraj A. Gating mechanisms of mechanosensitive channels of large conductance, I: A continuum mechanics-based hierarchical framework. Biophysical Journal. 2008;95:563-580.
Chang W-S, Link S, Yethiraj A, Barbara PF. Single molecule spectroscopy of conjugated polymer chains in an electric field-aligned liquid crystal. Journal of Physical Chemistry B. 2008;112:448-453.
Zhu X, Koenig P, Gellman SH, Yethiraj A, Cui Q. Establishing Effective Simulation Protocols for β- and α/β-Peptides. II. Molecular Mechanical (MM) Model for a Cyclic β-Residue. Journal of Physical Chemistry B. 2008;112:5439-5448.
Pizzey CL, Pomerantz WC, Sung B-J, Yuwono VM, Gellman SH, Hartgerink JD, et al.. Characterization of nanofibers formed by self-assembly of β-peptide oligomers using small angle x-ray scattering. Journal of Chemical Physics. 2008;129:095103/1-095103/8.
Zhu X, Yethiraj A, Cui Q. Establishing effective simulation protocols for beta- and alpha/beta-mixed peptides. I. QM and QM/MM models. Journal of Chemical Theory and Computation. 2007;3:1538-1549.
Sung BJ, Yethiraj A. Permeation of a hard sphere fluid into a quenched matrix. Journal of Chemical Physics. 2007;126.
Moorthy J, Burgess R, Yethiraj A, Beebe D. Microfluidic based platform for characterization of protein interactions in hydrogel nanoenvironments. Analytical Chemistry. 2007;79:5322-5327.
Chang R, Yethiraj A. Structure and dynamics of short chain molecules in disordered porous materials: A molecular dynamics simulation study. Journal of Chemical Physics. 2007;126.
Barbara PF, Chang WS, Link S, Scholes GD, Yethiraj A. Structure and dynamics of conjugated polymers in liquid crystalline solvents. Annual Review of Physical Chemistry. 2007;58:565-584.
Sung BJ, Yethiraj A. Lateral diffusion and percolation in membranes. Physical Review Letters. 2006;96.
Reddy G, Yethiraj A. Implicit and explicit solvent models for the simulation of dilute polymer solutions. Macromolecules. 2006;39:8536.
Reddy G, Chang RW, Yethiraj A. Adsorption and dynamics of a single polyelectrolyte chain near a planar charged surface: Molecular dynamics simulations with explicit solvent. Journal of Chemical Theory & Computation. 2006;2:630-636.
Link S, Chang WS, Yethiraj A, Barbara PF. Anisotropic diffusion of elongated and aligned polymer chains in a nematic solvent. Journal of Physical Chemistry B. 2006;110:19799.
Link S, Chang WS, Yethiraj A, Barbara PF. Orthogonal orientations for solvation of polymer molecules in smectic solvents - art. no. 017801. Physical Review Letters. 2006;9601:7801.
Khare R, Keblinski P, Yethiraj A. 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. 2006;49:3401.
Jagannathan K, Sung BJ, Yethiraj A. Dynamics of probes in model glassy matrices. Physical Review Letters. 2006;97.
Chang RW, Yethiraj A. Dynamics of chain molecules in disordered materials. Physical Review Letters. 2006;9610.
Chang RW, Yethiraj A. Dilute solutions of strongly charged flexible polyelectrolytes in poor solvents: Molecular dynamics simulations with explicit solvent. Macromolecules. 2006;39:821-828.
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 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.
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.
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, 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, 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.
Sung BJ, Yethiraj A. Integral equation theory of random copolymer melts. Macromolecules. 2005;38:2000-2008.
Chang R, Yethiraj A. Osmotic pressure of salt-free polyelectrolyte solutions: A Monte Carlo simulation study. Macromolecules. 2005;38:607-616.
Reddy G, Yethiraj A. The behavior of fluids near solutes: A density functional theory and computer simulation study. Journal of Chemical Physics. 2004;121:4203-4209.
Miyazaki K, Bagchi B, Yethiraj A. Self-consistent mode-coupling theory for the viscosity of rodlike polyelectrolyte solutions. Journal of Chemical Physics. 2004;121:8120-8127.
Jagannathan K, Yethiraj A. Molecular dynamics simulations of a fluid near its critical point - art. no. 015701. Physical Review Letters. 2004;9301:5701.
Patra CN, Chang R, Yethiraj A. Structure of polyelectrolyte solutions at a charged surface. Journal of Physical Chemistry B. 2004;108:9126-9132.
Chang RW, Jagannathan K, Yethiraj A. Diffusion of hard sphere fluids in disordered media: A molecular dynamics simulation study - art. no. 051101. Physical Review E. 2004;6905:1101.
Yethiraj A. Osmotic pressure of isotropic solutions of rodlike polymers. Journal of Chemical Physics. 2003;118:3904-3905.
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.
Reddy G, Lawrence CP, Skinner JL, Yethiraj A. Liquid state theories for the structure of water. Journal of Chemical Physics. 2003;119:13012-13016.
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.
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.
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.
Chang RW, Yethiraj A. Brownian dynamics simulations of polyelectrolyte solutions with divalent counterions. Journal of Chemical Physics. 2003;118:11315-11325.
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.
Yethiraj A. Computer simulation study of two-dimensional polymer solutions. Macromolecules. 2003;36:5854-5862.
Chang R, Yethiraj A. The behavior of salt-free polyelectrolyte solutions at charged surfaces. Progress in Organic Coatings. 2003;47:331-336.
Yethiraj A. Integral equations for polymers in quenched random media. Journal of Chemical Physics. 2002;116:5910-5911.
Yethiraj A. Polymer melts at solid surfaces. Advances in Chemical Physics. 2002;121:89-139.
Shew CY, Yethiraj A. Integral equation theory for the structure of DNA solutions. Journal of Chemical Physics. 2002;116:5308-5314.
Miyazaki K, Yethiraj A. Entanglement effects in mode coupling theories of polymers. Journal of Chemical Physics. 2002;117:10448-10451.
Jagannathan K, Yethiraj A. Density functional theory and Monte Carlo simulations for hard sphere fluids in square and rectangular channels. Journal of Chemical Physics. 2002;116:5795-5800.
Jagannathan K, Chang RW, Yethiraj A. A Monte Carlo study of the self-assembly of bacteriorhodopsin. Biophysical Journal. 2002;83:1902-1916.
Chang RW, Yethiraj A. Brownian dynamics simulations of salt-free polyelectrolyte solutions. Journal of Chemical Physics. 2002;116:5284-5298.
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.
Yethiraj A, Fynewever H, Shew CY. Density functional theory for pair correlation functions in polymeric liquids. Journal of Chemical Physics. 2001;114:4323-4330.
Srinivas G, Yethiraj A, Bagchi B. FRET by FET and dynamics of polymer folding. Journal of Physical Chemistry B. 2001;105:2475-2478.
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.
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.
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.
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.
Chang RW, Yethiraj A. Solvent effects on the collapse dynamics of polymers. Journal of Chemical Physics. 2001;114:7688-7699.
Yethiraj A, Stell G. An integral equation theory for the Widom-Rowlinson mixture. Journal of Statistical Physics. 2000;100:39-47.
Yethiraj A. Integral equation theory for the surface segregation from blends of linear and star polymers. Computational and Theoretical Polymer Science. 2000;10:115-123.
Shew CY, Yethiraj A. Self-consistent integral equation theory for semiflexible chain polyelectrolyte solutions. Journal of Chemical Physics. 2000;113:8841-8847.
Patra CN, Yethiraj A. Generalized van der Waals density functional theory for nonuniform polymers. Journal of Chemical Physics. 2000;112:1579-1584.
Patra CN, Yethiraj A. Density functional theory for the nonspecific binding of salt to polyelectrolytes: Thermodynamic properties. Biophysical Journal. 2000;78:699-706.
Egorov SA, Yethiraj A, Skinner JL. Local density enhancement in dilute supercritical solutions. Chemical Physics Letters. 2000;317:558-566.
Yethiraj A. Molecular modeling of polymers at surfaces. Chemical Engineering Journal. 1999;74:109-115.
Yethiraj A. Forces between surfaces immersed in polyelectrolyte solutions. Journal of Chemical Physics. 1999;111:1797-1800.
Shew CY, Yethiraj A. Conformational properties of isolated polyelectrolytes in poor solvents. Journal of Chemical Physics. 1999;110:676-681.
Shew CY, Yethiraj A. Monte Carlo simulations and self-consistent integral equation theory for polyelectrolyte solutions. Journal of Chemical Physics. 1999;110:5437-5443.
Shew CY, Yethiraj A. Computer simulations and integral equation theory for the structure of salt-free rigid rod polyelectrolyte solutions: Explicit incorporation of counterions. Journal of Chemical Physics. 1999;110:11599-11607.
Patra CN, Yethiraj A, Curro JG. The effect of attractions on the structure of fused sphere chains confined between surfaces. Journal of Chemical Physics. 1999;111:1608-1614.
Patra CN, Yethiraj A. Density functional theory for the distribution of small ions around polyions. Journal of Physical Chemistry B. 1999;103:6080-6087.
Khare R, de Pablo J, Yethiraj A. Response to "Comment on 'Molecular simulation and continuum mechanics study of simple fluids in nonisothermal planar Couette flows'" J-Chem. Phys. 111, 10730 (1999). Journal of Chemical Physics. 1999;111:10732-10733.
Yethiraj A, Fynewever H. Isotropic to nematic transition in semiflexible polymer melts. Molecular Physics. 1998;93:693-701.
Yethiraj A. Theory for chain conformations and static structure of dilute and semidilute polyelectrolyte solutions. Journal of Chemical Physics. 1998;108:1184-1192.
Yethiraj A. Density functional theory of polymers: A Curtin-Ashcroft type weighted density approximation. Journal of Chemical Physics. 1998;109:3269-3275.
Shew CY, Yethiraj A. Ion binding in tobacco mosaic virus solutions. Journal of Chemical Physics. 1998;109:5162-5163.
Ni HH, Yethiraj A, Anderson C, Record MT. Molecular and thermodynamic properties of DNA solutions containing mixed NaCl and MgCl2: Comparison of theories with experiments. Biophysical Journal. 1998;74:A283-A283.
Fynewever H, Yethiraj A. Phase behavior of semiflexible tangent hard sphere chains. Journal of Chemical Physics. 1998;108:1636-1644.
Curro JG, Weinhold JD, McCoy JD, Yethiraj A. The structure of amorphous polymers near surfaces: athermal systems. Computational and Theoretical Polymer Science. 1998;8:159-168.
Yethiraj A. Conformational properties and static structure factor of polyelectrolyte solutions. Physical Review Letters. 1997;78:3789-3792.
Wen Y, Yethiraj A, Weisshaar JC. Excited state kinetics of neutral transition metal atoms by stimulated emission pumping: V*(3d(4)4s, a(4)D)+ hydrocarbons. Journal of Chemical Physics. 1997;106:5509-5525.
Shew CY, Yethiraj A. Integral equation theory of solutions of rigid polyelectrolytes. Journal of Chemical Physics. 1997;106:5706-5719.
Khare R, dePablo J, Yethiraj A. Molecular simulation and continuum mechanics study of simple fluids in non-isothermal planar couette flows. Journal of Chemical Physics. 1997;107:2589-2596.
Khare R, dePablo J, Yethiraj A. Rheological, thermodynamic, and structural studies of linear and branched alkanes under shear. Journal of Chemical Physics. 1997;107:6956-6964.
Yethiraj A. Weighted density approximation for polymer melts. In: Laird BB, Ross RB, Ziegler T. 1996. pp. 274-285.
Yethiraj A, Shew CY. Structure of polyelectrolyte solutions. Physical Review Letters. 1996;77:3937-3940.
Shew CY, Yethiraj A. Phase behavior of the Widom-Rowlinson mixture. Journal of Chemical Physics. 1996;104:7665-7670.
Khare R, dePablo JJ, Yethiraj A. Rheology of confined polymer melts. Macromolecules. 1996;29:7910-7918.
Egorov SA, Stephens MD, Yethiraj A, Skinner JL. Structure and dynamics of infinitely dilute solutions. Molecular Physics. 1996;88:477-487.
Yethiraj A, Woodward CE. MONTE-CARLO DENSITY-FUNCTIONAL THEORY OF NONUNIFORM POLYMER MELTS. Journal of Chemical Physics. 1995;102:5499-5505.
Yethiraj A, Curro JG, Rajasekaran JJ. THERMODYNAMICS AND LOCAL-STRUCTURE OF VINYL POLYMER MELTS. Journal of Chemical Physics. 1995;103:2229-2236.
Yethiraj A. ENTROPIC AND ENTHALPIC SURFACE SEGREGATION FROM BLENDS OF BRANCHED AND LINEAR-POLYMERS. Physical Review Letters. 1995;74:2018-2021.
Yethiraj A. MONTE-CARLO SIMULATIONS FOR THE EQUATION OF STATE OF ATHERMAL LINEAR ALKANES. Journal of Chemical Physics. 1995;102:6874-6880.
Singh C, Schweizer KS, Yethiraj A. FLUCTUATION PHENOMENA IN STRUCTURALLY SYMMETRICAL POLYMER BLENDS. Journal of Chemical Physics. 1995;102:2187-2208.
Phan S, Kierlik E, Rosinberg ML, Yethiraj A, Dickman R. PERTURBATION DENSITY-FUNCTIONAL THEORY AND MONTE-CARLO SIMULATIONS FOR THE STRUCTURE OF HARD TRIATOMIC FLUIDS IN SLITLIKE PORES. Journal of Chemical Physics. 1995;102:2141-2150.
Kumar SK, Yethiraj A, Schweizer KS, Leermakers FAM. THE EFFECTS OF LOCAL STIFFNESS DISPARITY ON THE SURFACE SEGREGATION FROM BINARY POLYMER BLENDS. Journal of Chemical Physics. 1995;103:10332-10346.
Yethiraj A, Dickman R, Szamel G, Kierlik E, Rosinberg ML. LOCAL-STRUCTURE AND ORIENTATIONAL CORRELATIONS IN FLUIDS COMPOSED OF LINEAR TRIATOMIC-MOLECULES. Molecular Physics. 1994;82:937-955.
Yethiraj A. MONTE-CARLO SIMULATION OF CONFINED SEMIFLEXIBLE POLYMER MELTS. Journal of Chemical Physics. 1994;101:2489-2497.
Yethiraj A. MONTE-CARLO SIMULATION OF SEMIFLEXIBLE HARD TRIATOMIC FLUIDS. Molecular Physics. 1994;82:957-972.
Yethiraj A. EFFECT OF CHAIN STIFFNESS ON THE CONFORMATIONAL PROPERTIES, PAIR CORRELATIONS, AND EQUATION OF STATE OF POLYMER MELTS. Journal of Chemical Physics. 1994;101:9104-9112.
Woodward CE, Yethiraj A. DENSITY-FUNCTIONAL THEORY FOR INHOMOGENEOUS POLYMER-SOLUTIONS. Journal of Chemical Physics. 1994;100:3181-3186.
Grayce CJ, Yethiraj A, Schweizer KS. LIQUID-STATE THEORY OF THE DENSITY-DEPENDENT CONFORMATION OF NONPOLAR LINEAR-POLYMERS. Journal of Chemical Physics. 1994;100:6857-6872.
Dickman R, Yethiraj A. POLYMER-INDUCED FORCES BETWEEN COLLOIDAL PARTICLES - A MONTE-CARLO SIMULATION. Journal of Chemical Physics. 1994;100:4683-4690.
Hall CK, Yethiraj A, Wichert JM. EQUATIONS OF STATE FOR SQUARE-WELL CHAIN FLUIDS USING THE GENERALIZED FLORY APPROACH. Fluid Phase Equilibria. 1993;83:313-322.
Yethiraj A, Honnell KG, Hall CK. MONTE-CARLO CALCULATION OF THE OSMOTIC 2ND VIRIAL-COEFFICIENT OF OFF-LATTICE ATHERMAL POLYMERS. Macromolecules. 1992;25:3979-3983.
Yethiraj A, Hall CK, Dickman R. INTERACTION BETWEEN COLLOIDS IN SOLUTIONS CONTAINING DISSOLVED POLYMER. Journal of Colloid and Interface Science. 1992;151:102-117.
Yethiraj A, Hall CK. MONTE-CARLO SIMULATIONS AND INTEGRAL-EQUATION THEORY FOR MICROSCOPIC CORRELATIONS IN POLYMERIC FLUIDS. Journal of Chemical Physics. 1992;96:797-807.
Yethiraj A, Hall CK. BEHAVIOR OF STARLIKE POLYMERS BETWEEN WALLS. Macromolecules. 1991;24:709-713.
Yethiraj A, Hall CK. SQUARE-WELL DIATOMICS - BULK EQUATION OF STATE, DENSITY PROFILES NEAR WALLS, VIRIAL-COEFFICIENTS AND COEXISTENCE PROPERTIES. Molecular Physics. 1991;72:619-641.
Yethiraj A, Hall CK. EQUATIONS OF STATE FOR STAR POLYMERS. Journal of Chemical Physics. 1991;94:3943-3948.
Yethiraj A, Hall CK. MONTE-CARLO SIMULATION OF THE EQUILIBRIUM PARTITIONING OF CHAIN FLUIDS BETWEEN A BULK AND A PORE. Molecular Physics. 1991;73:503-515.
Yethiraj A, Hall CK. 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. Journal of Chemical Physics. 1991;95:1999-2005.
Yethiraj A, Hall CK. INTEGRAL-EQUATION THEORY FOR THE ADSORPTION OF CHAIN FLUIDS IN SLITLIKE PORES. Journal of Chemical Physics. 1991;95:3749-3755.
Yethiraj A, Hall CK. GENERALIZED FLORY EQUATIONS OF STATE FOR SQUARE-WELL CHAINS. Journal of Chemical Physics. 1991;95:8494-8506.
Yethiraj A, Hall CK, Honnell KG. SITE-SITE CORRELATIONS IN SHORT CHAIN FLUIDS. Journal of Chemical Physics. 1990;93:4453-4461.
Yethiraj A, Hall CK. MONTE-CARLO SIMULATION OF POLYMERS CONFINED BETWEEN FLAT PLATES. Macromolecules. 1990;23:1865-1872.
Yethiraj A, Hall CK. LOCAL-STRUCTURE OF FLUIDS CONTAINING CHAIN-LIKE MOLECULES - POLYMER REFERENCE INTERACTION SITE MODEL WITH A YUKAWA CLOSURE. Journal of Chemical Physics. 1990;93:5315-5321.
Yethiraj A, Hall CK. MONTE-CARLO SIMULATION OF HARD CHAIN HARD SPHERE MIXTURES IN SLITLIKE PORES. Journal of Chemical Physics. 1989;91:4827-4837.
Yethiraj A, Kuszta B, Smith CB. IDENTIFICATION AND FEEDBACK-CONTROL OF NONLINEAR-SYSTEMS. Chemical Engineering Communications. 1988;71:1-22.
Yethiraj A, Smith CB. NONLINEAR FEEDBACK-CONTROL OF A CLASS OF NONLINEAR-SYSTEMS. Electronics Letters. 1987;23:18-20.
Yethiraj A, Sivakumar S, Chidambaram M, Shankar HS. ANALYSIS OF TRANSPORT REACTORS FOR CATALYTIC CRACKING - COMPARISON OF VERTICAL UPFLOW, DOWNFLOW AND HORIZONTAL REACTORS. Hungarian Journal of Industrial Chemistry. 1987;15:323-332.