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Chemical and Biological Engineering
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portrait of faculty member Errington

Jeffrey R. Errington

Associate Professor
Director of Undergraduate Studies

509 Furnas Hall
(716) 645-2911 ext. 2222
Fax: (716) 645-3822
jerring@buffalo.edu
Short bio Research Publications Teaching Home page

Chapters in Books

Refereed Journal Publications

  • “Excess entropy-based anomalies for a water-like fluid”, J. R. Errington, T. M. Truskett, and J. Mittal, J. Chem. Phys. 125, 244502:1-8 (2006).
  • “Quantitative Link between Single-Particle Dynamics and Static Structure of Supercooled Liquids”, J. Mittal, J. R. Errington, and T. M. Truskett, J. Phys. Chem. B 110, 18147-18150 (2006).
  • “Relationship between thermodynamics and dynamics of supercooled liquids”, J. Mittal, J. R. Errington, and T. M. Truskett, J. Chem. Phys. 125, 076102:1-2 (2006).
  • “Using available volume to predict fluid diffusivity in random media”, J. Mittal, J. R. Errington, and T. M. Truskett, Phys. Rev. E 74, 040102:1-4 (2006).
  • “Nucleation and cavitation of spherical, cylindrical, and slablike droplets and bubbles in small systems”, L. G. MacDowell, V. K. Shen, and J. R. Errington, J. Chem. Phys. 125, 034705:1-15 (2006).
  • “Thermodynamics Predicts How Confinement Modifies the Dynamics of the Equilibrium Hard-Sphere Fluid”, J. Mittal, J. R. Errington, and T. M. Truskett, Phys. Rev. Lett. 96, 177804:1-4 (2006).
  • “Coarse-grained strategy for modeling protein stability in concentrated solutions II: Phase behavior”, V. K. Shen, J. K. Cheung, J. R. Errington, and T. M. Truskett, Biophys. J. 90, 1949-1960 (2006).
  • “Determination of Surface Tension in Binary Mixtures Using Transition-Matrix Monte Carlo”, V. K. Shen and J. R. Errington, J. Chem. Phys. 124, 024721:1-9 (2006).
  • “Calculation of phase coexistence properties and surface tensions of n-alkanes using grand-canonical transition-matrix Monte Carlo simulation and finite-size scaling”, J. K. Singh and J. R. Errington, J. Phys. Chem. B 110, 1369-1376 (2006).
  • “Prewetting boundary tensions from Monte Carlo simulation”, J. R. Errington and D. W. Wilbert, Phys. Rev. Lett. 95, 226107:1-4 (2005).
  • “Direct evaluation of multi-component phase equilibria using flat histogram methods”, J. R. Errington and V. K. Shen, J. Chem. Phys. 123, 164103:1-9 (2005).
  • “Determination of Henry’s Law Constants through Transition Matrix Monte Carlo Simulation”, E. C. Cichowski, T. R. Schmidt, and J. R. Errington, Fluid Phase Equilibria 236, 58-65 (2005).
  • “A Computational Study of Hydration, Solution Structure, and Dynamics in Dilute Carbohydrate Solutions”, S. L. Lee, P. G. Debenedetti, and J. R. Errington, J. Chem. Phys. 122, 204511:1-10 (2005).  Also selected to appear in Vir. J. Bio. Phys. Res. (June 1, 2005).
  • “Determination of fluid-phase behavior using transition-matrix Monte Carlo: Binary Lennard-Jones mixtures”, V. K. Shen and J. R. Errington, J. Chem. Phys. 122, 064508:1-17 (2005).
  • “Metastability and Instability in the Lennard-Jones Fluid Investigated by Transition-Matrix Monte Carlo”, V. K. Shen and J. R. Errington, J. Phys. Chem. B 108, 19595-19606 (2004).
  • “Calorimetric and Spectroscopic Study of Nucleic Acids at Low Hydration”, S. L. Lee, P. G. Debenedetti, J. R. Errington, B. A. Pethica, and D. J. Moore, J. Phys. Chem. B 108, 3098-3106 (2004).
  • “Prewetting Transitions for a Model Argon on Solid Carbon Dioxide System”, J. R. Errington, Langmuir 20, 3798-3804 (2004).
  • “Solid-Liquid Phase Coexistence of the Lennard-Jones System through Phase-Switch Monte Carlo Simulation”, J. R. Errington, J. Chem. Phys. 120, 3130-3141 (2004).
  • “Surface Tension and Vapor-Liquid Phase Coexistence of the Square-Well Fluid”, J. K. Singh, D. A. Kofke, and J. R. Errington, J. Chem. Phys. 119, 3405-3412 (2003).
  • “Direct Calculation of Liquid-Vapor Phase Equilibria From Transition Matrix Monte Carlo Simulation”, J. R. Errington, J. Chem. Phys. 118, 9915-9925 (2003).
  • “Evaluating Surface Tension Using Grand-Canonical Transition-Matrix Monte Carlo Simulation and Finite-Size Scaling”, J. R. Errington, Phys. Rev. E 67, 012102:1-4 (2003).
  • “Quantification of Order in the Lennard-Jones System”, J. R. Errington, P. G. Debenedetti, and S. Torquato, J. Chem. Phys. 118, 2256-2263 (2003).
  • “Cooperative Origin of Low-Density Domains in Liquid Water”, J. R. Errington, P. G. Debenedetti, and S. Torquato, Phys. Rev. Lett. 89, 215503:1-4 (2002).
  • “Relationship between Structural Order and the Anomalies of Liquid Water”, J. R. Errington and P. G. Debenedetti, Nature 409, 318-321 (2001).
  • “Molecular Simulation of Phase Equilibria for Water – n-Butane and
    Water – n-Hexane Mixtures”, G. C. Boulougouris, J. R. Errington, I. G. Economou, A. Z. Panagiotopoulos and D. N. Theodorou, J. Phys. Chem. B 104, 4958-4963 (1999).
  • “Molecular Simulation of Phase Equilibria for Mixtures of Polar and Non-Polar Components”, J. J. Potoff, J. R. Errington and A. Z. Panagiotopoulos, Mol. Phys. 97, 1073-1083 (1999).
  • “New Intermolecular Potential Models for Benzene and Cyclohexane”, J. R. Errington and A. Z. Panagiotopoulos, J. Chem. Phys. 111, 9731-9738 (1999).
  • “A New intermolecular Potential Model for the n-Alkane Homologous Series”, J. R. Errington and A. Z. Panagiotopoulos, J. Phys. Chem. B 103, 6314-6322 (1999).
  • “Molecular Simulation of Phase Equilibria for Water-Methane and Water-Ethane Mixtures”, J. R. Errington, G. C. Boulougouris, I. G. Economou, A. Z. Panagiotopoulos and D. N. Theodorou, J. Phys. Chem. B 102, 8865-8873 (1998).
  • “A Fixed Point Charge Model for Water Optimized to the Vapor-Liquid Coexistence Properties”, J. R. Errington and A. Z. Panagiotopoulos, J. Phys. Chem. B 102, 7470-7475 (1998).
  • “Phase Coexistence and Critical Properties of the Modified Buckingham Exponential-6 Potential from Hamiltonian Scaling Grand Canonical Monte Carlo”, J. R. Errington and A. Z. Panagiotopoulos, J. Chem. Phys. 109, 1093-1100 (1998).
  • “Monte Carlo Simulation of High-Pressure Phase Equilibria in Aqueous Systems”, J. R. Errington, K. Kiyohara, K. E. Gubbins and A. Z. Panagiotopoulos, Fluid Phase Equil. 150, 33-40 (1998).

Last Updated: January 2007