UB - University at Buffalo, The State University of New York Chemical and Biological Engineering
portrait of faculty member Errington

Jeffrey R. Errington

Associate Professor
Director of Undergraduate Studies

509 Furnas Hall
(716) 645-1184
Fax: (716) 645-3822
jerring@buffalo.edu
Short bio Research Publications Teaching Home page

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