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1. “Computational Characterization of the Sequence Landscape in Simple Protein Alphabets.” Proteins. Struct., Funct. & Bioinformatics, 62, 232, 2006 [with M.S. Shell and P.G. Debenedetti].
2. “A Conformal Solution Theory for the Energy Landscape and Glass Transition of Mixtures.” Fluid Phase Equil., 241, 147, 2006 [with M.S. Shell and P.G. Debenedetti].
3. “Monte Carol Simulations of Micellization in Model Ionic Surfactants: Application to Sodium Dodecyl Sulfate.” Langmuir, 22, 4076, 2006 [with D.W. Cheong].
4. “Phase Behavior of the Lattice Restricted Primitive Model with Nearest-neighbor Exclusion.” J. Chem. Phys., 124, 194509, 2006 [with A. Diehl].
5. "Coarse-Grained Kinetic Computations for Rare Events: Application to Micelle Formation." Journal Of Chemical Physics, 122, 2005 [with D.I. Kopelevich and I.G. Kevrekidis].
6. "Coarse-Grained Computations for a Micellar System." Journal Of Chemical Physics, 122, 2005 [with D.I. Kopelevich and I.G. Kevrekidis].
7. “Flat-histogram Dynamics and Optimization in Density of States Simulations of Fluids.” J. Phys. Chem. B, 108, 19748, 2005 [with M.S. Shell and P.G. Debenedetti].
8. "Effect of Stiffness on the Phase Behavior of Cubic Lattice Chains." Macromolecules, 38, 2475-2481, 2005 [with M.A. Floriano and V. Firetto].
9. “Phase Diagrams in the Lattice Restricted Primitive Model: From Order-Disorder to Gas-Liquid Phase Transition.” Phys. Rev. E., 71, 046118, 2005 [with A. Diehl].
10. “Molecular Modeling of Shear-induced Alignment of Cylindrical Micelles.” Comp. Phys. Comm., 169, 262, 2005 [with G. Arya].
11. “Phase Behavior of Polyampholyte Chains from Grand Canonical Monte Carlo Simulations.” Molec. Phys., 103, 3031, 2005 [with D.W. Cheong].
12. “Critical Point of Electrolyte Mixtures.” J. Chem. Phys., 123, 084903, 2005 [with A.-P. Hynninen and M. Dijkstra].
13. “Thermodynamic Properties of Lattice Hard Sphere Models.” J. Chem. Phys., 123, 104504, 2005.
14. “Simulations of Phase Transitions in Ionic Systems.” J. Phys.: Condens. Matter, 17, S3205, 2005.
15. “Log-rolling Micelles in Sheared Block Copolymer Thin Films.” Phys. Rev. Lett., 95, 188301, 2005 [with G. Ayra].
16. “Impact of Branching on the Phase Behavior of Polymers.” Macromolecules, 38, 10596, 2005 [with G. Ayra].
17. “Shear Ordering in Thin Films of Spherical Block Copolymer.” Langmuir, 21, 11518, 2005 [with G. Arya, J. Rottler, D.J. Srolovitz, and P.M. Chaikin].
18. “Universality of Ionic Criticality: Size- and Charge-asymmetric Electrolytes.” Phys. Rev. Lett., 95, 195703, 2005 [with Y.C. Kim and M.I.E. Fisher].
19. “Molecular Simulation of the Solubility of Carbon Dioxide in Aqueous Solutions of Sodium Chloride.” Fluid Phase Equilibria, 226, 237, 2004 [with J. Vorholz, V.I. Harismiadis, B. Rumpf, and G. Maurer].
20. “Flat-Histogram Dynamics and Optimization in Density of States Simulations of Fluids.” J. Phys. Chem. B, 108, 19748, 2004 [with M.S. Shell and P.G. Debenedetti].
21. “Determination of Second Virial Coefficients by Grand Canonical Monte Carlo Simulations.” Fluid Phase Equilibria, 222, 221, 2004 [with S. Moghaddam].
22. “Finely Discretized Lattice Simulations of Spc/E Water.” Fluid Phase Equilibria, 222, 225, 2004 [with C.S. Lock and S. Moghaddam].
23. “Monte Carlo Study of Shear-Induced Alignment of Cylindrical Micelles in Thin Films.” Phys. Rev. E, 70, 2004 [with G. Arya].
24. “Phase Transitions of Confined Lattice Homopolymers.” J. Phys. Chem. B, 108, 6809, 2004 [with O.J. Hehmeyer and G. Arya].
25. “Saddles in the Energy Landscape: Extensivity and Thermodynamic Formalism.” Phys. Rev. Lett., 92, 035506, 2004 [with M.S. Shell and P.G. Debenedetti].
26. “New Simulation Approaches for Modeling Phase Transitions in Complex Fluids.” Abstr. Papers Amer. Chem. Soc., 225, U788, 2003.
27. “Molecular and Mesoscopic Simulations of Phase Equilibria.” Abstr. Papers Amer. Chem. Soc., 226, U454, 2003.
28. “Critical Parameters of Unrestricted Primitive Model Electrolytes with Charge Asymmetries up to 10:1.” J. Chem. Phys., 119, 8526, 2003 [with D.W. Cheong].
29. “Phase Transitions and Tricriticality in the Lattice Restricted Primitive Model Supplemented by Short-Range Interactions.” J. Chem. Phys., 118, 4993, 2003 [with A. Diehl].
30. “Thermodynamics of Electrolytes on Anisotropic Lattices.” Phys. Rev. E, 68, 2003 [with V. Kobelev and A.B. Kolomeisky].
31. “Coarse Multiscale Computation.” Abstr. Papers Amer. Chem. Soc., 225, U704, 2003 [with D.I. Kopelevich and I.G. Kevrekidis].
32. “Formation of Spherical Micelles in a Supercritical Solvent: Lattice Monte Carlo Simulation and Multicomponent Solution Model.” Molecul. Sim., 29, 139, 2003 [with M. Lisal, C.K. Hall, and K.E. Gubbins].
33. “Lattice Discretization Effects on the Critical Parameters of Model Nonpolar and Polar Fluids.” J. Chem. Phys., 118, 7556, 2003 [with S. Moghaddam].
34. “Monte Carlo Study of Coulombic Criticality in Polyelectrolytes.” Phys. Rev. Lett., 90, 2003 [with G. Orkoulas and S.K. Kumar].
35. “Competing Ranges of Attractive and Repulsive Interactions in the Micellization of Model Surfactants.” Langmuir, 19, 5164-5168, 2003 [with S. Salaniwal and S.K. Kumar].
36. “An Improved Monte Carlo Method for Direct Calculation of the Density of States.” J. Chem. Phys., 119, 9406, 2003 [with M.S. Shell and P.G. Debenedetti].
37. “Grand Canonical Monte Carlo Simulations of Phase Equilibria of Pure Silicon Tetrachloride and Its Binary Mixture with Carbon Dioxide.” Molecul. Phys., 101, 3213, 2003 [with O.M. Suleimenov and T.M. Seward].
38. “Self-Assembly of Surfactants in a Supercritical Solvent from Lattice Monte Carlo Simulations.” J. Chem. Phys., 116, 1171, 2002 [with M. Lísal, C.K. Hall, and K.E. Gubbins].
39. “Phase Transitions in 2:1 and 3:1 Hard-Core Model Electrolytes.” Phys. Rev. Lett., 88, 045701, 2002 [with M.E. Fisher].
40. “Ternary Oil-Water-Amphiphile Systems: Self-Assembly and Phase Equilibria.” Molec. Phys., 100, 2213, 2002 [with S.-Y. Kim and M.A. Floriano].
41. “Critical Parameters of the Restricted Primitive Model.” J. Chem. Phys., 116, 3007, 2002.
42. “Micellar Behavior in Supercritical Solvent-Surfactant Systems from Lattice Monte Carlo Simulations.” Fluid Phase Equilibria, 194, 233, 2002 [with M. Lísal, C.K. Hall, and K.E. Gubbins].
43. “University Class of Criticality in the Restricted Primitive Model Electrolyte.” Phys. Rev. Lett., 88, 185701, 2002 [with E. Luijten and M.E. Fisher].
44. “Micellization and Phase Separation of Diblock and Triblock Model Surfactants.” Langmuir, 18, 2940, 2002 [with M.A. Floriano and S.K. Kumar].
45. “Gibbs Ensemble Monte Carol Simulations of Coexistence Properties of a Polarizable Potential Model of Water.” J. Chem. Phys., 117, 3522, 2002 [with L.X. Dang and T.-M. Chang].
46. “Course Bifurcation Analysis of Kinetic Monte Carol Simultions: A Lattice Gas Model with Lateral Interactions.” J. Chem. Phys., 117, 8229, 2002 [with A.G. Makeev, D. Maroudas, and I.G. Kevrekidis].
47. “Molecular Structural Order and Anomalies in Liquid Silica.” Phys. Rev. E, 66, 011202, 2002 [with M.S. Shell and P.G. Debenedetti].
48. “Generalization of the Wang-Landau Method for Off-Lattice Simulations.” Phys. Rev. E, 66, 056703, 2002 [with M.S. Shell and P.G. Debenedetti].
49. “Dipolar Origin of the Gas-Liquid Coexistence of the Hard-Core 1:1 Electrolyte Model.” Phys. Rev. E, 66, 041204, 2002 [with J. M. Romero-Enrique and L.F. Rull].
50. “Force Field Development for Simulations of Condensed Phases.” In First International Conference on Foundations of Molecular Modeling and Simulation, AIChE Symp. Ser., 97, 61, 2001.
51. “Nanostructure Formation and Phase Separation in Surfactant Solutions.” Adv. Chem. Eng., 28, 297, 2001 [with S.K. Kumar and M.A. Floriano].
52. “The Heat Capacity of the Restricted Primitive Model Electrolyte.” J. Chem. Phys., 114, 5468, 2001 [with E. Luijten and M.E. Fisher].
53. “Precise Simulation of Criticality in Asymmetric Fluids.” Phys. Rev. E, 63, 051507, 2001 [with G. Orkoulas and M.E. Fisher.
54. “Monte Carlo Simulations of Free Chains in End-Linked Polymer Networks.” J. Chem. Phys., 115, 1100, 2001 [with N. Gilra and C. Cohen].
55. “Monte Carlo Simulations of Polymer Network Deformation.” Macromolecules, 34, 6090, 2001 [with N. Gilra and C. Cohen].
56. “A SANS Study of the Conformational Behavior of Linear Chains in Strained and Unstrained End-Linked Elastomers.” Macromolecules, 34, 7773, 2001 [with N. Gilra, C. Cohen, R.M. Briber, and B.J. Bauer].
57. “High Resolution Study of Fluid Criticality.” In Computer Simulation Studies in Condense Matter Physics XIII, D.P. Landau, S.P. Lewis, and H. B. Schüettler, eds., Springer Verlag, Belin, 2000 [with G. Orkoulas and M.E. Fisher].
58. “Monte Carlo Methods for Phase Equilibria.” J. Phys. Cond. Matter, 12, R25, 2000.
59. “A Monte Carlo Study of the Structural Properties of End-linked Polymer Networks.” J. Chem. Phys., 112, 6910, 2000 [with N. Gilra and C. Cohen].
60. “Criticality and Crossover in Accessible Regimes.” Phys. Rev. E, 61, 5930, 2000 [with G. Orkoulas and M.E. Fisher].
61. “On the Equivalence of Continuum and Lattice Models for Fluids.” J. Chem. Phys., 112, 7132, 2000.
62. “Molecular Simulation of Phase Equilibria for Water-n-Butane and Water-n-Hexane Mixtures.” J. Phys. Chem. B, 104, 4958, 2000 [with G.C. Boulougouris, J.R. Errington, I.G. Economou, and D.N. Theodorou].
63. “Vapor-Liquid Equilibrium of Water, Carbon Dioxide and the Binary System Water + Carbon Dioxide from Molecular Simulation.” Fluid Phase Equil, 170, 203, 2000 [with J. Vorholz, V.I. Harismiadis, B. Rumpf, and G. Maurer].
64. “Surface Tension of the 3-Dimensional Lennard-Jones Fluid from Histogram-reweighting Monte Carlo Simulations.” J. Chem. Phys., 112, 6411, 2000 [with J. Potoff].
65. “Coexistence and Criticality in Size-Asymmetric Hard-Core Electrolytes.” Phys. Rev. Lett., 85, 4558, 2000 [with J.M. Romero-Enrique, G. Orkoulas, and M.E. Fisher