| Year |
Citation |
Score |
| 2023 |
Hatch HW, Siderius DW, Errington JR, Shen VK. Efficiency Comparison of Single- and Multiple-Macrostate Grand Canonical Ensemble Transition-Matrix Monte Carlo Simulations. The Journal of Physical Chemistry. B. 127: 3041-3051. PMID 36976615 DOI: 10.1021/acs.jpcb.3c00613 |
0.783 |
|
| 2020 |
Mahynski NA, Hatch HW, Witman M, Sheen DA, Errington JR, Shen VK. Flat-histogram extrapolation as a useful tool in the age of big data Molecular Simulation. 1-13. DOI: 10.1080/08927022.2020.1747617 |
0.663 |
|
| 2019 |
Hatch HW, Hall SW, Errington JR, Shen VK. Improving the efficiency of Monte Carlo simulations of ions using expanded grand canonical ensembles. The Journal of Chemical Physics. 151: 144109. PMID 31615250 DOI: 10.1063/1.5123683 |
0.778 |
|
| 2019 |
Jain K, Schultz AJ, Errington JR. Construction of the interface potential from a series of canonical ensemble simulations. The Journal of Chemical Physics. 151: 044103. PMID 31370560 DOI: 10.1063/1.5110922 |
0.633 |
|
| 2019 |
Jain K, Schultz AJ, Errington JR. Application of the interface potential approach for studying wetting behavior within a molecular dynamics framework. The Journal of Chemical Physics. 150: 204118. PMID 31153165 DOI: 10.1063/1.5096362 |
0.644 |
|
| 2019 |
Guo W, Errington JR. Effect of Carboxylic Acid on the Wetting Properties of a Model Water-Octane-Silica System. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 31039315 DOI: 10.1021/Acs.Langmuir.9B00393 |
0.359 |
|
| 2019 |
Jain K, Rane KS, Errington JR. Using isothermal-isobaric Monte Carlo simulation to study the wetting behavior of model systems. The Journal of Chemical Physics. 150: 084110. PMID 30823776 DOI: 10.1063/1.5089416 |
0.804 |
|
| 2019 |
Guo W, Errington JR. Effect of Surface Hydrophilicity on the Interfacial Properties of a Model Octane–Water–Silica System Journal of Physical Chemistry C. 123: 19649-19658. DOI: 10.1021/Acs.Jpcc.9B04970 |
0.35 |
|
| 2018 |
Guo W, Bali P, Errington JR. Calculation of the Saturation Properties of a Model Octane-Water System Using Monte Carlo Simulation. The Journal of Physical Chemistry. B. PMID 29763557 DOI: 10.1021/Acs.Jpcb.8B01411 |
0.435 |
|
| 2018 |
Purohit A, Schultz AJ, Moustafa SG, Errington JR, Kofke DA. Free energy and concentration of crystalline vacancies by molecular simulation Molecular Physics. 116: 3027-3041. DOI: 10.1080/00268976.2018.1481542 |
0.594 |
|
| 2018 |
Guo W, Errington JR. Monte Carlo Simulation Strategies to Compute the Interfacial Properties of a Model Octane–Water–Silica System Journal of Physical Chemistry C. 122: 17309-17318. DOI: 10.1021/Acs.Jpcc.8B04993 |
0.431 |
|
| 2017 |
Mahynski NA, Errington JR, Shen VK. Multivariable extrapolation of grand canonical free energy landscapes. The Journal of Chemical Physics. 147: 234111. PMID 29272947 DOI: 10.1063/1.5006906 |
0.678 |
|
| 2017 |
Krekelberg WP, Siderius DW, Shen VK, Truskett TM, Errington JR. Connection Between Thermodynamics and Dynamics of Simple Fluids in Pores: Impact of Fluid-Fluid Interaction Range and Fluid-Solid Interaction Strength. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 121: 16316-16327. PMID 29170685 DOI: 10.1021/Acs.Jpcc.7B04232 |
0.745 |
|
| 2017 |
Krekelberg WP, Siderius DW, Shen VK, Truskett TM, Errington JR. Position-dependent dynamics explain pore-averaged diffusion in strongly attractive adsorptive systems}. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 29125303 DOI: 10.1021/Acs.Langmuir.7B03401 |
0.711 |
|
| 2017 |
Mahynski NA, Errington JR, Shen VK. Temperature extrapolation of multicomponent grand canonical free energy landscapes. The Journal of Chemical Physics. 147: 054105. PMID 28789543 DOI: 10.1063/1.4996759 |
0.629 |
|
| 2017 |
Mahynski NA, Blanco MA, Errington JR, Shen VK. Predicting low-temperature free energy landscapes with flat-histogram Monte Carlo methods. The Journal of Chemical Physics. 146: 074101. PMID 28228029 DOI: 10.1063/1.4975331 |
0.676 |
|
| 2015 |
Pandav G, Pryamitsyn V, Errington J, Ganesan V. Multibody Interactions, Phase Behavior, and Clustering in Nanoparticle-Polyelectrolyte Mixtures. The Journal of Physical Chemistry. B. 119: 14536-50. PMID 26473468 DOI: 10.1021/Acs.Jpcb.5B07905 |
0.349 |
|
| 2015 |
Yang JH, Schultz AJ, Errington JR, Kofke DA. The rate of convergence of the virial series in confined systems Molecular Physics. 113: 1179-1189. DOI: 10.1080/00268976.2014.999840 |
0.708 |
|
| 2014 |
Rane KS, Errington JR. Understanding the influence of Coulomb and dispersion interactions on the wetting behavior of ionic liquids. The Journal of Chemical Physics. 141: 174706. PMID 25381536 DOI: 10.1063/1.4900771 |
0.74 |
|
| 2014 |
Rane KS, Errington JR. Saturation properties of 1-alkyl-3-methylimidazolium based ionic liquids. The Journal of Physical Chemistry. B. 118: 8734-43. PMID 24986360 DOI: 10.1021/Jp504085T |
0.727 |
|
| 2014 |
Jain A, Piñeros W, Errington JR, Truskett TM. Erratum: Dimensionality and design of isotropic interactions that stabilize honeycomb, square, simple cubic, and diamond lattices [Phys. Rev. X4, 031049 (2014)] Physical Review X. 4. DOI: 10.1103/Physrevx.4.049902 |
0.502 |
|
| 2014 |
Jain A, Errington JR, Truskett TM. Dimensionality and design of isotropic interactions that stabilize honeycomb, square, simple cubic, and diamond lattices Physical Review X. 4. DOI: 10.1103/Physrevx.4.031049 |
0.507 |
|
| 2014 |
Rane KS, Errington JR. Understanding the influence of Coulomb and dispersion interactions on the wetting behavior of ionic liquids Journal of Chemical Physics. 141. DOI: 10.1063/1.4900771 |
0.654 |
|
| 2014 |
Rane KS, Errington JR. Saturation properties of 1-alkyl-3-methylimidazolium based ionic liquids Journal of Physical Chemistry B. 118: 8734-8743. DOI: 10.1021/jp504085t |
0.663 |
|
| 2014 |
Rane KS, Kumar V, Wierzchowski S, Shaik M, Errington JR. Liquid-vapor phase behavior of asphaltene-like molecules Industrial and Engineering Chemistry Research. 53: 17833-17842. DOI: 10.1021/Ie5035144 |
0.762 |
|
| 2014 |
Kumar V, Rane KS, Wierzchowski S, Shaik M, Errington JR. Evaluation of the performance of GAFF and CGenFF in the prediction of liquid-vapor saturation properties of naphthalene derivatives Industrial and Engineering Chemistry Research. 53: 16072-16081. DOI: 10.1021/Ie503346M |
0.757 |
|
| 2014 |
Kumar V, Errington JR. The use of Monte Carlo simulation to obtain the wetting properties of water Physics Procedia. 53: 44-49. DOI: 10.1016/Jphpro.2014.06.024 |
0.551 |
|
| 2013 |
Rane KS, Murali S, Errington JR. Monte Carlo Simulation Methods for Computing Liquid-Vapor Saturation Properties of Model Systems. Journal of Chemical Theory and Computation. 9: 2552-66. PMID 26583852 DOI: 10.1021/Ct400074P |
0.73 |
|
| 2013 |
Ingebrigtsen TS, Errington JR, Truskett TM, Dyre JC. Predicting how nanoconfinement changes the relaxation time of a supercooled liquid. Physical Review Letters. 111: 235901. PMID 24476293 DOI: 10.1103/Physrevlett.111.235901 |
0.622 |
|
| 2013 |
Krekelberg WP, Siderius DW, Shen VK, Truskett TM, Errington JR. Connection between thermodynamics and dynamics of simple fluids in highly attractive pores. Langmuir : the Acs Journal of Surfaces and Colloids. 29: 14527-35. PMID 24160818 DOI: 10.1021/La4037327 |
0.724 |
|
| 2013 |
Jain A, Errington JR, Truskett TM. Communication: Phase behavior of materials with isotropic interactions designed by inverse strategies to favor diamond and simple cubic lattice ground states. The Journal of Chemical Physics. 139: 141102. PMID 24116595 DOI: 10.1063/1.4825173 |
0.581 |
|
| 2013 |
Kumar V, Errington JR. Impact of small-scale geometric roughness on wetting behavior. Langmuir : the Acs Journal of Surfaces and Colloids. 29: 11815-20. PMID 24011170 DOI: 10.1021/La402955E |
0.566 |
|
| 2013 |
Kumar V, Errington JR. Understanding wetting of immiscible liquids near a solid surface using molecular simulation. The Journal of Chemical Physics. 139: 064110. PMID 23947846 DOI: 10.1063/1.4817535 |
0.622 |
|
| 2013 |
Rane KS, Errington JR. Using Monte Carlo simulation to compute liquid-vapor saturation properties of ionic liquids. The Journal of Physical Chemistry. B. 117: 8018-30. PMID 23734733 DOI: 10.1021/Jp404207X |
0.746 |
|
| 2013 |
Kumar V, Errington JR. Monte Carlo simulation strategies to compute interfacial and bulk properties of binary fluid mixtures. The Journal of Chemical Physics. 138: 174112. PMID 23656119 DOI: 10.1063/1.4803024 |
0.636 |
|
| 2013 |
Yang JH, Schultz AJ, Errington JR, Kofke DA. Calculation of inhomogeneous-fluid cluster expansions with application to the hard-sphere∕hard-wall system. The Journal of Chemical Physics. 138: 134706. PMID 23574251 DOI: 10.1063/1.4798456 |
0.711 |
|
| 2013 |
Ingebrigtsen TS, Errington JR, Truskett TM, Dyre JC. Predicting how nanoconfinement changes the relaxation time of a supercooled liquid Physical Review Letters. 111. DOI: 10.1103/PhysRevLett.111.235901 |
0.463 |
|
| 2013 |
Kumar V, Errington JR. Application of the interface potential approach to calculate the wetting properties of a water model system Molecular Simulation. 39: 1143-1152. DOI: 10.1080/08927022.2013.817672 |
0.564 |
|
| 2013 |
Jain A, Errington JR, Truskett TM. Communication: Phase behavior of materials with isotropic interactions designed by inverse strategies to favor diamond and simple cubic lattice ground states Journal of Chemical Physics. 139. DOI: 10.1063/1.4825173 |
0.457 |
|
| 2013 |
Kumar V, Errington JR. Understanding wetting of immiscible liquids near a solid surface using molecular simulation Journal of Chemical Physics. 139. DOI: 10.1063/1.4817535 |
0.513 |
|
| 2013 |
Kumar V, Errington JR. Monte Carlo simulation strategies to compute interfacial and bulk properties of binary fluid mixtures Journal of Chemical Physics. 138. DOI: 10.1063/1.4803024 |
0.553 |
|
| 2013 |
Yang JH, Schultz AJ, Errington JR, Kofke DA. Calculation of inhomogeneous-fluid cluster expansions with application to the hard-spherehard-wall system Journal of Chemical Physics. 138. DOI: 10.1063/1.4798456 |
0.631 |
|
| 2013 |
Jain A, Errington JR, Truskett TM. Inverse design of simple pairwise interactions with low-coordinated 3D lattice ground states Soft Matter. 9: 3866-3870. DOI: 10.1039/C3Sm27785B |
0.532 |
|
| 2013 |
Krekelberg WP, Siderius DW, Shen VK, Truskett TM, Errington JR. Connection between thermodynamics and dynamics of simple fluids in highly attractive pores Langmuir. 29: 14527-14535. DOI: 10.1021/la4037327 |
0.716 |
|
| 2013 |
Kumar V, Errington JR. Impact of small-scale geometric roughness on wetting behavior Langmuir. 29: 11815-11820. DOI: 10.1021/la402955e |
0.397 |
|
| 2013 |
Kumar V, Errington JR. Wetting behavior of water near nonpolar surfaces Journal of Physical Chemistry C. 117: 23017-23026. DOI: 10.1021/Jp4084647 |
0.555 |
|
| 2013 |
Rane KS, Errington JR. Using monte carlo simulation to compute liquid-vapor saturation properties of ionic liquids Journal of Physical Chemistry B. 117: 8018-8030. DOI: 10.1021/jp404207x |
0.701 |
|
| 2013 |
Rane KS, Murali S, Errington JR. Monte carlo simulation methods for computing liquid-vapor saturation properties of model systems Journal of Chemical Theory and Computation. 9: 2552-2566. DOI: 10.1021/ct400074p |
0.706 |
|
| 2012 |
Carmer J, Goel G, Pond MJ, Errington JR, Truskett TM. Enhancing tracer diffusivity by tuning interparticle interactions and coordination shell structure Soft Matter. 8: 4083-4089. DOI: 10.1039/C1Sm06932B |
0.61 |
|
| 2011 |
Rane KS, Kumar V, Errington JR. Monte Carlo simulation methods for computing the wetting and drying properties of model systems. The Journal of Chemical Physics. 135: 234102. PMID 22191859 DOI: 10.1063/1.3668137 |
0.776 |
|
| 2011 |
Kumar V, Sridhar S, Errington JR. Monte Carlo simulation strategies for computing the wetting properties of fluids at geometrically rough surfaces Journal of Chemical Physics. 135. PMID 22088073 DOI: 10.1063/1.3655817 |
0.623 |
|
| 2011 |
Krekelberg WP, Shen VK, Errington JR, Truskett TM. Impact of surface roughness on diffusion of confined fluids. The Journal of Chemical Physics. 135: 154502. PMID 22029319 DOI: 10.1063/1.3651478 |
0.731 |
|
| 2011 |
Pond MJ, Errington JR, Truskett TM. Implications of the effective one-component analysis of pair correlations in colloidal fluids with polydispersity Journal of Chemical Physics. 135. PMID 21974541 DOI: 10.1063/1.3643118 |
0.624 |
|
| 2011 |
Pond MJ, Errington JR, Truskett TM. Communication: Generalizing Rosenfeld's excess-entropy scaling to predict long-time diffusivity in dense fluids of Brownian particles: from hard to ultrasoft interactions. The Journal of Chemical Physics. 134: 081101. PMID 21361518 DOI: 10.1063/1.3559676 |
0.617 |
|
| 2011 |
Rane KS, Kumar V, Errington JR. Monte Carlo simulation methods for computing the wetting and drying properties of model systems Journal of Chemical Physics. 135. DOI: 10.1063/1.3668137 |
0.736 |
|
| 2011 |
Krekelberg WP, Shen VK, Errington JR, Truskett TM. Impact of surface roughness on diffusion of confined fluids Journal of Chemical Physics. 135. DOI: 10.1063/1.3651478 |
0.682 |
|
| 2011 |
Pond MJ, Errington JR, Truskett TM. Communication: Generalizing Rosenfelds excess-entropy scaling to predict long-time diffusivity in dense fluids of Brownian particles: From hard to ultrasoft interactions Journal of Chemical Physics. 134. DOI: 10.1063/1.3559676 |
0.513 |
|
| 2011 |
Pond MJ, Errington JR, Truskett TM. Mapping between long-time molecular and Brownian dynamics Soft Matter. 7: 9859-9862. DOI: 10.1039/C1Sm06493B |
0.611 |
|
| 2010 |
Chopra R, Truskett TM, Errington JR. Excess-entropy scaling of dynamics for a confined fluid of dumbbell-shaped particles. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 82: 041201. PMID 21230265 DOI: 10.1103/Physreve.82.041201 |
0.738 |
|
| 2010 |
Chopra R, Truskett TM, Errington JR. On the use of excess entropy scaling to describe single-molecule and collective dynamic properties of hydrocarbon isomer fluids. The Journal of Physical Chemistry. B. 114: 16487-93. PMID 21090704 DOI: 10.1021/Jp107878U |
0.711 |
|
| 2010 |
Chopra R, Truskett TM, Errington JR. Excess entropy scaling of dynamic quantities for fluids of dumbbell-shaped particles Journal of Chemical Physics. 133. PMID 20849177 DOI: 10.1063/1.3477767 |
0.721 |
|
| 2010 |
Chopra R, Truskett TM, Errington JR. On the use of excess entropy scaling to describe the dynamic properties of water. The Journal of Physical Chemistry. B. 114: 10558-66. PMID 20701386 DOI: 10.1021/Jp1049155 |
0.725 |
|
| 2010 |
Grzelak EM, Errington JR. Nanoscale limit to the applicability of Wenzel's equation. Langmuir : the Acs Journal of Surfaces and Colloids. 26: 13297-304. PMID 20695571 DOI: 10.1021/La1016164 |
0.792 |
|
| 2010 |
Grzelak EM, Errington JR. Calculation of interfacial properties via free-energy-based molecular simulation: The influence of system size. The Journal of Chemical Physics. 132: 224702. PMID 20550411 DOI: 10.1063/1.3431525 |
0.809 |
|
| 2010 |
Grzelak EM, Shen VK, Errington JR. Molecular simulation study of anisotropic wetting. Langmuir : the Acs Journal of Surfaces and Colloids. 26: 8274-81. PMID 20218687 DOI: 10.1021/La9046897 |
0.808 |
|
| 2010 |
Chopra R, Truskett TM, Errington JR. Excess-entropy scaling of dynamics for a confined fluid of dumbbell-shaped particles Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 82. DOI: 10.1103/PhysRevE.82.041201 |
0.667 |
|
| 2010 |
Grzelak EM, Errington JR. Calculation of interfacial properties via free-energy-based molecular simulation: The influence of system size Journal of Chemical Physics. 132. DOI: 10.1063/1.3431525 |
0.759 |
|
| 2010 |
Mittal J, Errington JR, Truskett TM. Erratum: “Relationship between thermodynamics and dynamics of supercooled liquids” [J. Chem. Phys. 125, 076102 (2006)] The Journal of Chemical Physics. 132: 169904. DOI: 10.1063/1.3395339 |
0.548 |
|
| 2010 |
Grzelak EM, Shen VK, Errington JR. Molecular simulation study of anisotropic wetting Langmuir. 26: 8274-8281. DOI: 10.1021/la9046897 |
0.793 |
|
| 2010 |
Grzelak EM, Errington JR. Nanoscale limit to the applicability of Wenzel's equation Langmuir. 26: 13297-13304. DOI: 10.1021/la1016164 |
0.702 |
|
| 2010 |
Chopra R, Truskett TM, Errington JR. On the use of excess entropy scaling to describe single-molecule and collective dynamic properties of hydrocarbon isomer fluids Journal of Physical Chemistry B. 114: 16487-16493. DOI: 10.1021/jp107878u |
0.675 |
|
| 2010 |
Chopra R, Truskett TM, Errington JR. On the use of excess entropy scaling to describe the dynamic properties of water Journal of Physical Chemistry B. 114: 10558-10566. DOI: 10.1021/jp1049155 |
0.648 |
|
| 2009 |
Krekelberg WP, Pond MJ, Goel G, Shen VK, Errington JR, Truskett TM. Generalized Rosenfeld scalings for tracer diffusivities in not-so-simple fluids: mixtures and soft particles. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 80: 061205. PMID 20365159 DOI: 10.1103/Physreve.80.061205 |
0.754 |
|
| 2009 |
Pond MJ, Krekelberg WP, Shen VK, Errington JR, Truskett TM. Composition and concentration anomalies for structure and dynamics of Gaussian-core mixtures. The Journal of Chemical Physics. 131: 161101. PMID 19894913 DOI: 10.1063/1.3256235 |
0.709 |
|
| 2009 |
Shen VK, Cheung JK, Errington JR, Truskett TM. Insights into crowding effects on protein stability from a coarse-grained model Journal of Biomechanical Engineering. 131. PMID 19640127 DOI: 10.1115/1.3127259 |
0.669 |
|
| 2009 |
Shen VK, Cheung JK, Errington JR, Truskett TM. Insights into crowding effects on protein stability from a coarse-grained model Journal of Biomechanical Engineering. 131. PMID 19640127 DOI: 10.1115/1.3127259 |
0.669 |
|
| 2009 |
Krekelberg WP, Kumar T, Mittal J, Errington JR, Truskett TM. Anomalous structure and dynamics of the Gaussian-core fluid. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 79: 031203. PMID 19391927 DOI: 10.1103/Physreve.79.031203 |
0.63 |
|
| 2009 |
Krekelberg WP, Pond MJ, Goel G, Shen VK, Errington JR, Truskett TM. Generalized Rosenfeld scalings for tracer diffusivities in not-so-simple fluids: Mixtures and soft particles Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 80. DOI: 10.1103/PhysRevE.80.061205 |
0.695 |
|
| 2009 |
Krekelberg WP, Pond MJ, Goel G, Shen VK, Errington JR, Truskett TM. Generalized Rosenfeld scalings for tracer diffusivities in not-so-simple fluids: Mixtures and soft particles Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 80. DOI: 10.1103/PhysRevE.80.061205 |
0.695 |
|
| 2009 |
Krekelberg WP, Kumar T, Mittal J, Errington JR, Truskett TM. Anomalous structure and dynamics of the Gaussian-core fluid Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 79. DOI: 10.1103/PhysRevE.79.031203 |
0.522 |
|
| 2009 |
Krekelberg WP, Kumar T, Mittal J, Errington JR, Truskett TM. Anomalous structure and dynamics of the Gaussian-core fluid Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 79. DOI: 10.1103/PhysRevE.79.031203 |
0.522 |
|
| 2009 |
Goel G, Krekelberg WP, Pond MJ, Mittal J, Shen VK, Errington JR, Truskett TM. Available states and available space: Static properties that predict self-diffusivity of confined fluids Journal of Statistical Mechanics: Theory and Experiment. 2009. DOI: 10.1088/1742-5468/2009/04/P04006 |
0.687 |
|
| 2009 |
Goel G, Krekelberg WP, Pond MJ, Mittal J, Shen VK, Errington JR, Truskett TM. Available states and available space: Static properties that predict self-diffusivity of confined fluids Journal of Statistical Mechanics: Theory and Experiment. 2009. DOI: 10.1088/1742-5468/2009/04/P04006 |
0.687 |
|
| 2009 |
Pond MJ, Krekelberg WP, Shen VK, Errington JR, Truskett TM. Composition and concentration anomalies for structure and dynamics of Gaussian-core mixtures Journal of Chemical Physics. 131. DOI: 10.1063/1.3256235 |
0.664 |
|
| 2009 |
Krekelberg WP, Shen VK, Errington JR, Truskett TM. Response to "comment on 'Residual multiparticle entropy does not generally change sign near freezing' " [J. Chem. Phys. 130, 037101 (2009)] Journal of Chemical Physics. 130. DOI: 10.1063/1.3058798 |
0.673 |
|
| 2009 |
Cheung JK, Shen VK, Errington JR, Truskett TM. Concentration and crowding effects on protein stability from a coarse-grained model Statistical Mechanics of Cellular Systems and Processes. 1-25. DOI: 10.1017/CBO9780511576768.002 |
0.635 |
|
| 2009 |
Cheung JK, Shen VK, Errington JR, Truskett TM. Concentration and crowding effects on protein stability from a coarse-grained model Statistical Mechanics of Cellular Systems and Processes. 1-25. DOI: 10.1017/CBO9780511576768.002 |
0.635 |
|
| 2008 |
Rosch TW, Errington JR. Fluid phase behavior of a model colloid-polymer mixture: Influence of polymer size and interaction strength. The Journal of Chemical Physics. 129: 164907. PMID 19045314 DOI: 10.1063/1.3000011 |
0.577 |
|
| 2008 |
Rosch TW, Errington JR. Phase behavior of model confined fluids. Influence of substrate-fluid interaction strength. The Journal of Physical Chemistry. B. 112: 14911-9. PMID 18973362 DOI: 10.1021/Jp804419B |
0.656 |
|
| 2008 |
Mittal J, Truskett TM, Errington JR, Hummer G. Layering and position-dependent diffusive dynamics of confined fluids. Physical Review Letters. 100: 145901. PMID 18518049 DOI: 10.1103/Physrevlett.100.145901 |
0.575 |
|
| 2008 |
Krekelberg WP, Shen VK, Errington JR, Truskett TM. Residual multiparticle entropy does not generally change sign near freezing. The Journal of Chemical Physics. 128: 161101. PMID 18447412 DOI: 10.1063/1.2916697 |
0.731 |
|
| 2008 |
Goel G, Krekelberg WP, Errington JR, Truskett TM. Tuning density profiles and mobility of inhomogeneous fluids. Physical Review Letters. 100: 106001. PMID 18352209 DOI: 10.1103/Physrevlett.100.106001 |
0.593 |
|
| 2008 |
Grzelak EM, Errington JR. Computation of interfacial properties via grand canonical transition matrix Monte Carlo simulation. The Journal of Chemical Physics. 128: 014710. PMID 18190215 DOI: 10.1063/1.2812285 |
0.809 |
|
| 2008 |
Mittal J, Truskett TM, Errington JR, Hummer G. Layering and position-dependent diffusive dynamics of confined fluids Physical Review Letters. 100. DOI: 10.1103/PhysRevLett.100.145901 |
0.507 |
|
| 2008 |
Mittal J, Truskett TM, Errington JR, Hummer G. Layering and position-dependent diffusive dynamics of confined fluids Physical Review Letters. 100. DOI: 10.1103/PhysRevLett.100.145901 |
0.507 |
|
| 2008 |
Goel G, Krekelberg WP, Errington JR, Truskett TM. Tuning density profiles and mobility of inhomogeneous fluids Physical Review Letters. 100. DOI: 10.1103/PhysRevLett.100.106001 |
0.504 |
|
| 2008 |
Goel G, Krekelberg WP, Errington JR, Truskett TM. Tuning density profiles and mobility of inhomogeneous fluids Physical Review Letters. 100. DOI: 10.1103/PhysRevLett.100.106001 |
0.504 |
|
| 2008 |
Rosch TW, Errington JR. Fluid phase behavior of a model colloid-polymer mixture: Influence of polymer size and interaction strength Journal of Chemical Physics. 129. DOI: 10.1063/1.3000011 |
0.518 |
|
| 2008 |
Krekelberg WP, Shen VK, Errington JR, Truskett TM. Residual multiparticle entropy does not generally change sign near freezing Journal of Chemical Physics. 128. DOI: 10.1063/1.2916697 |
0.642 |
|
| 2008 |
Grzelak EM, Errington JR. Computation of interfacial properties via grand canonical transition matrix Monte Carlo simulation Journal of Chemical Physics. 128. DOI: 10.1063/1.2812285 |
0.763 |
|
| 2008 |
Rosch TW, Errington JR. Phase behavior of model confined fluids. Influence of substrate - Fluid interaction strength Journal of Physical Chemistry B. 112: 14911-14919. DOI: 10.1021/jp804419b |
0.572 |
|
| 2008 |
Sellers MS, Errington JR. Influence of substrate strength on wetting behavior Journal of Physical Chemistry C. 112: 12905-12913. DOI: 10.1021/Jp803458X |
0.393 |
|
| 2008 |
Paluch AS, Shen VK, Errington JR. Comparing the use of Gibbs ensemble and grand-canonical transition-matrix Monte Carlo methods to determine phase equilibria Industrial and Engineering Chemistry Research. 47: 4533-4541. DOI: 10.1021/Ie800143N |
0.678 |
|
| 2008 |
Godawat R, Jamadagni SN, Errington JR, Garde S. Structure, stability, and rupture of free and supported liquid films and assemblies in molecular simulations Industrial and Engineering Chemistry Research. 47: 3582-3590. DOI: 10.1021/Ie7017383 |
0.448 |
|
| 2008 |
Pond M, Goel G, Krekelberg WP, Shen VK, Errington JR, Truskett TM. Confinement effects on structure and dynamics of a supercooled hard-sphere mixture Aiche Annual Meeting, Conference Proceedings. |
0.687 |
|
| 2008 |
Pond M, Goel G, Krekelberg WP, Shen VK, Errington JR, Truskett TM. Confinement effects on structure and dynamics of a supercooled hard-sphere mixture Aiche Annual Meeting, Conference Proceedings. |
0.687 |
|
| 2007 |
Errington JR, Kofke DA. Calculation of surface tension via area sampling. The Journal of Chemical Physics. 127: 174709. PMID 17994844 DOI: 10.1063/1.2795698 |
0.63 |
|
| 2007 |
Mittal J, Shen VK, Errington JR, Truskett TM. Confinement, entropy, and single-particle dynamics of equilibrium hard-sphere mixtures Journal of Chemical Physics. 127. PMID 17949179 DOI: 10.1063/1.2795699 |
0.754 |
|
| 2007 |
Mittal J, Shen VK, Errington JR, Truskett TM. Confinement, entropy, and single-particle dynamics of equilibrium hard-sphere mixtures Journal of Chemical Physics. 127. PMID 17949179 DOI: 10.1063/1.2795699 |
0.754 |
|
| 2007 |
Rosch TW, Errington JR. Investigation of the phase behavior of an embedded charge protein model through molecular simulation. The Journal of Physical Chemistry. B. 111: 12591-8. PMID 17929863 DOI: 10.1021/Jp075455Q |
0.624 |
|
| 2007 |
Mittal J, Errington JR, Truskett TM. Relationships between self-diffusivity, packing fraction, and excess entropy in simple bulk and confined fluids. The Journal of Physical Chemistry. B. 111: 10054-63. PMID 17629320 DOI: 10.1021/Jp071369E |
0.638 |
|
| 2007 |
Mittal J, Errington JR, Truskett TM. Does confining the hard-sphere fluid between hard walls change its average properties? Journal of Chemical Physics. 126. PMID 17614578 DOI: 10.1063/1.2748045 |
0.655 |
|
| 2007 |
Shen VK, Mountain RD, Errington JR. Comparative study of the effect of tail corrections on surface tension determined by molecular simulation. The Journal of Physical Chemistry. B. 111: 6198-207. PMID 17497915 DOI: 10.1021/Jp070374F |
0.643 |
|
| 2007 |
Cheung JK, Shen VK, Errington JR, Truskett TM. Coarse-grained strategy for modeling protein stability in concentrated solutions. III: Directional protein interactions Biophysical Journal. 92: 4316-4324. PMID 17400697 DOI: 10.1529/Biophysj.106.099085 |
0.693 |
|
| 2007 |
Errington JR, Truskett TM, Mittal J. Erratum: “Excess-entropy-based anomalies for a waterlike fluid” [J. Chem. Phys. 125, 244502 (2006)] The Journal of Chemical Physics. 126: 189901. DOI: 10.1063/1.2734144 |
0.496 |
|
| 2007 |
Mittal J, Errington JR, Truskett TM. Relationships between self-diffusivity, packing fraction, and excess entropy in simple bulk and confined fluids Journal of Physical Chemistry B. 111: 10054-10063. DOI: 10.1021/jp071369e |
0.529 |
|
| 2007 |
Mittal J, Krekelberg WP, Errington JR, Truskett TM. Computing free volume, structural order, and entropy of liquids and glasses Reviews in Computational Chemistry. 25: 125-158. DOI: 10.1002/9780470189078.Ch3 |
0.558 |
|
| 2006 |
Errington JR, Truskett TM, Mittal J. Excess-entropy-based anomalies for a waterlike fluid. The Journal of Chemical Physics. 125: 244502. PMID 17199350 DOI: 10.1063/1.2409932 |
0.611 |
|
| 2006 |
Mittal J, Errington JR, Truskett TM. Using available volume to predict fluid diffusivity in random media. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 74: 040102. PMID 17155009 DOI: 10.1103/Physreve.74.040102 |
0.591 |
|
| 2006 |
Mittal J, Errington JR, Truskett TM. Quantitative link between single-particle dynamics and static structure of supercooled liquids. The Journal of Physical Chemistry. B. 110: 18147-50. PMID 16970429 DOI: 10.1021/Jp064816J |
0.642 |
|
| 2006 |
Mittal J, Errington JR, Truskett TM. Relationship between thermodynamics and dynamics of supercooled liquids. The Journal of Chemical Physics. 125: 076102. PMID 16942382 DOI: 10.1063/1.2336197 |
0.629 |
|
| 2006 |
MacDowell LG, Shen VK, Errington JR. Nucleation and cavitation of spherical, cylindrical, and slablike droplets and bubbles in small systems. The Journal of Chemical Physics. 125: 34705. PMID 16863371 DOI: 10.1063/1.2218845 |
0.694 |
|
| 2006 |
Mittal J, Errington JR, Truskett TM. Thermodynamics predicts how confinement modifies the dynamics of the equilibrium hard-sphere fluid Physical Review Letters. 96. PMID 16712334 DOI: 10.1103/Physrevlett.96.177804 |
0.637 |
|
| 2006 |
Singh JK, Errington JR. Calculation of phase coexistence properties and surface tensions of n-alkanes with grand-canonical transition-matrix monte carlo simulation and finite-size scaling. The Journal of Physical Chemistry. B. 110: 1369-76. PMID 16471687 DOI: 10.1021/Jp055170I |
0.425 |
|
| 2006 |
Shen VK, Errington JR. Determination of surface tension in binary mixtures using transition-matrix Monte Carlo. The Journal of Chemical Physics. 124: 024721. PMID 16422640 DOI: 10.1063/1.2159472 |
0.686 |
|
| 2006 |
Shen VK, Cheung JK, Errington JR, Truskett TM. Coarse-grained strategy for modeling protein stability in concentrated solutions. II: Phase behavior Biophysical Journal. 90: 1949-1960. PMID 16387768 DOI: 10.1529/Biophysj.105.076497 |
0.716 |
|
| 2006 |
Mittal J, Errington JR, Truskett TM. Using available volume to predict fluid diffusivity in random media Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 74. DOI: 10.1103/PhysRevE.74.040102 |
0.512 |
|
| 2006 |
Errington JR, Truskett TM, Mittal J. Excess-entropy-based anomalies for a waterlike fluid Journal of Chemical Physics. 125. DOI: 10.1063/1.2409932 |
0.524 |
|
| 2006 |
Mittal J, Errington JR, Truskett TM. Relationship between thermodynamics and dynamics of supercooled liquids Journal of Chemical Physics. 125. DOI: 10.1063/1.2336197 |
0.512 |
|
| 2006 |
Mittal J, Errington JR, Truskett TM. Quantitative link between single-particle dynamics and static structure of supercooled liquids Journal of Physical Chemistry B. 110: 18147-18150. DOI: 10.1021/jp064816j |
0.495 |
|
| 2005 |
Errington JR, Wilbert DW. Prewetting boundary tensions from Monte Carlo simulation. Physical Review Letters. 95: 226107. PMID 16384244 DOI: 10.1103/Physrevlett.95.226107 |
0.366 |
|
| 2005 |
Errington JR, Shen VK. Direct evaluation of multicomponent phase equilibria using flat-histogram methods. The Journal of Chemical Physics. 123: 164103. PMID 16268677 DOI: 10.1063/1.2064628 |
0.64 |
|
| 2005 |
Lee SL, Debenedetti PG, Errington JR. A computational study of hydration, solution structure, and dynamics in dilute carbohydrate solutions. The Journal of Chemical Physics. 122: 204511. PMID 15945756 DOI: 10.1063/1.1917745 |
0.644 |
|
| 2005 |
Shen VK, Errington JR. Determination of fluid-phase behavior using transition-matrix Monte Carlo: binary Lennard-Jones mixtures. The Journal of Chemical Physics. 122: 064508. PMID 15740389 DOI: 10.1063/1.1844372 |
0.692 |
|
| 2005 |
Cichowski EC, Schmidt TR, Errington JR. Determination of Henry's law constants through transition matrix Monte Carlo simulation Fluid Phase Equilibria. 236: 58-65. DOI: 10.1016/J.Fluid.2005.05.001 |
0.388 |
|
| 2005 |
Rosch TW, Errington JR. Calculation of solvation properties using a combined expanded ensemble - Transition matrix Monte Carlo approach Aiche Annual Meeting, Conference Proceedings. 10472. |
0.552 |
|
| 2005 |
Cheung JK, Shen VK, Errington JR, Truskett TM. Investigating molecular and phase stability of protein solutions by a coarse-grained modeling strategy Aiche Annual Meeting, Conference Proceedings. 600. |
0.653 |
|
| 2005 |
Shen VK, Errington JR. Determination of interfacial tension in binary mixtures using transition-matrix Monte Carlo Aiche Annual Meeting, Conference Proceedings. 10500. |
0.601 |
|
| 2005 |
Rosch TW, Errington JR. Calculation of solvation properties using a combined expanded ensemble - Transition matrix Monte Carlo approach Aiche Annual Meeting, Conference Proceedings. 10472. |
0.552 |
|
| 2004 |
Errington JR. Prewetting transitions for a model argon on solid carbon dioxide system. Langmuir : the Acs Journal of Surfaces and Colloids. 20: 3798-804. PMID 15875418 DOI: 10.1021/La0360106 |
0.401 |
|
| 2004 |
Errington JR. Solid-liquid phase coexistence of the Lennard-Jones system through phase-switch Monte Carlo simulation. The Journal of Chemical Physics. 120: 3130-41. PMID 15268465 DOI: 10.1063/1.1642591 |
0.42 |
|
| 2004 |
Shen VK, Errington JR. Metastability and instability in the lennard-jones fluid investigated by transition-matrix monte carlo Journal of Physical Chemistry B. 108: 19595-19606. DOI: 10.1021/Jp040218Y |
0.698 |
|
| 2004 |
Lee SL, Debenedetti PG, Errington JR, Pethica BA, Moore DJ. A calorimetric and spectroscopic study of DNA at low hydration Journal of Physical Chemistry B. 108: 3098-3106. DOI: 10.1021/Jp0311409 |
0.61 |
|
| 2003 |
Errington JR. Evaluating surface tension using grand-canonical transition-matrix Monte Carlo simulation and finite-size scaling. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 67: 012102. PMID 12636539 DOI: 10.1103/Physreve.67.012102 |
0.421 |
|
| 2003 |
Singh JK, Kofke DA, Errington JR. Surface tension and vapor-liquid phase coexistence of the square-well fluid Journal of Chemical Physics. 119: 3405-3412. DOI: 10.1063/1.1590313 |
0.611 |
|
| 2003 |
Errington JR. Direct calculation of liquid-vapor phase equilibria from transition matrix Monte Carlo simulation Journal of Chemical Physics. 118: 9915-9925. DOI: 10.1063/1.1572463 |
0.453 |
|
| 2003 |
Errington JR, Debenedetti PG, Torquato S. Quantification of order in the Lennard-Jones system Journal of Chemical Physics. 118: 2256-2263. DOI: 10.1063/1.1532344 |
0.465 |
|
| 2002 |
Errington JR, Debenedetti PG, Torquato S. Cooperative origin of low-density domains in liquid water. Physical Review Letters. 89: 215503. PMID 12443425 DOI: 10.1103/Physrevlett.89.215503 |
0.535 |
|
| 2001 |
Errington JR, Debenedetti PG. Relationship between structural order and the anomalies of liquid water. Nature. 409: 318-21. PMID 11201735 DOI: 10.1038/35053024 |
0.567 |
|
| 2000 |
Boulougouris GC, Errington JR, Economou IG, Panagiotopoulos AZ, Theodorou DN. Molecular Simulation of Phase Equilibria for Water−n-Butane and Water−n-Hexane Mixtures Journal of Physical Chemistry B. 104: 4958-4963. DOI: 10.1021/Jp994063J |
0.57 |
|
| 2000 |
Boulougouris GC, Errington JR, Economou IG, Panagiotopoulos AZ, Theodorou DN. Molecular Simulation of Phase Equilibria for Water - N-Butane and Water - n-Hexane Mixtures Journal of Physical Chemistry B. 104: 4958-4963. |
0.456 |
|
| 1999 |
Potoff JJ, Errington JR, Panagiotopoulos AZ. Molecular simulation of phase equilibria for mixtures of polar and non-polar components Molecular Physics. 97: 1073-1083. DOI: 10.1080/00268979909482908 |
0.739 |
|
| 1999 |
Errington JR, Panagiotopoulos AZ. New intermolecular potential models for benzene and cyclohexane Journal of Chemical Physics. 111: 9731-9738. DOI: 10.1063/1.480308 |
0.58 |
|
| 1999 |
Errington JR, Panagiotopoulos AZ. A new intermolecular potential model for the n-alkane homologous series Journal of Physical Chemistry B. 103: 6314-6322. DOI: 10.1021/Jp990988N |
0.494 |
|
| 1998 |
Errington JR, Panagiotopoulos AZ. Phase equilibria of the modified Buckingham exponential-6 potential from Hamiltonian scaling grand canonical Monte Carlo Journal of Chemical Physics. 109: 1093-1100. DOI: 10.1063/1.476652 |
0.596 |
|
| 1998 |
Errington JR, Panagiotopoulos AZ. A fixed point charge model for water optimized to the vapor - liquid coexistence properties Journal of Physical Chemistry B. 102: 7470-7475. DOI: 10.1021/Jp982068V |
0.532 |
|
| 1998 |
Errington JR, Boulougouris GC, Economou IG, Panagiotopoulos AZ, Theodorou DN. Molecular Simulation of Phase Equilibria for Water−Methane and Water−Ethane Mixtures The Journal of Physical Chemistry B. 102: 8865-8873. DOI: 10.1021/Jp981627V |
0.605 |
|
| 1998 |
Errington JR, Kiyohara K, Gubbins KE, Panagiotopoulos AZ. Monte Carlo simulation of high-pressure phase equilibria in aqueous systems Fluid Phase Equilibria. 150: 33-40. DOI: 10.1016/S0378-3812(98)00273-8 |
0.569 |
|
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