2005-2011

J. R. Brown*, John D. McCoy
The Potential Energy Landscape Contribution to the Dynamic Heat Capacity
J. Chem. Phys. 134, 194708 (2011)
Selected for the Virtual Journal of Biological Physics Research (www.vjbio.org).

J. R. Brown*, J. D. McCoy, and B. Borchers
Theory and simulation of the dynamic heat capacity of the East Ising model
J. Chem. Phys. 133, 064508 (2010)

S. Mendez, B. P. Andrzejewski, H. E. Canavan, D. J. Keller, J. D. McCoy, G. P. Lopez, and J. G. Curro
Understanding the Force-vs-Distance Profiles of Terminally Attached Poly(N-isopropyl acrylamide) Thin Films
Langmuir 25,10624 (2009)

J. R. Brown*, J. D. McCoy, and D. B. Adolf
Driven simulations of the dynamic heat capacity
J. Chem. Phys. 131, 104507 (2009)

J. D. McCoy and J. G. Curro
Van der Waals model for phase transitions in thermoresponsive surface films
J. Chem. Phys. 130, 194708 (2009)

T. C. Dotson*, J. Budzien, J. D. McCoy and D. B. Adolf
Cole-Davidson Dynamics of Simple Chain Models
J. Chem. Phys. 130,024903 (2009)
Selected for the Virtual Journal of Biological Physics Research (www.vjbio.org).

T. C. Dotson*, J. V. Heffernan*, J. Budzien, K. T. Dotson*, F. Avila*, D. T. Limmer*, D. T. McCoy* , J. D. McCoy and D. B. Adolf
Rheological Complexity in Simple Chain Models
J. Chem. Phys. 128, 184905 (2008).
Selected for the Virtual Journal of Biological Physics Research (www.vjbio.org).

J. V. Heffernan*, J. Budzien, F. Avila*, T. C. Dotson*, V. J. Aston*,
J. D. McCoy and D. B. Adolf
Rotational Relaxation in Simple Chain Models
J. Chem. Phys. 127, 214902 (2007).
Selected for the Virtual Journal of Biological Physics Research (www.vjbio.org).

D. B. Adolf, R. S. Chambers, J. Flemming, J. L. Budzien, and J.D. McCoy,
Potential energy clock model: Justification and challenging predictions
J. Rheology 51, 517 (2007).

J. V. Heffernan*, J. Budzien, A. T. Wilson*, R. J. Baca*, V. J. Aston*, F. Avila*,
J. D. McCoy and D. B. Adolf
Molecular Flexibility Effects Upon Liquid Dynamics
J. Chem. Phys. 126, 184904 (2007).

S.K. Nath, A.L. Frischknecht, J.G. Curro and J.D. McCoy
Density functional theory and molecular dynamics simulation
of poly(dimethylsiloxane) melts near silica surfaces
Macromolecules 38, 8562 (2005).

S. Mendez, J. G. Curro, J. D. McCoy and G. P. Lopez
Computational Modeling of the Temperature-Induced Structural Changes of Tethered Poly(N-isopropylacrylamide) with Self-Consistent Field Theory
Macromolecules 38, 174 (2005).

S. K. Nath, J. G. Curro and J. D. McCoy
Density Functional Theory of Realistic Models of Polyethylene Liquids in Slit Pores: Comparison with Monte Carlo Simulations
J. Phys. Chem. B 109, 6620 (2005).

J. D. McCoy and J. G. Curro
The colloidal force of bead-spring chains in a good solvent
J. Chem. Phys. 122, 164905 (2005).
Selected for the Virtual Journal of Biological Physics Research (www.vjbio.org).

*student co-author

2000-2004

J. Budzien*, J. D. McCoy, D. Rottach*, J. G. Curro
"Effects of chain stiffness and penetrant size on penetrant diffusion in simple polymers: deduced relations from simulation and PRISM theory"
Polymer 45, 3923 (2004).

J. Budzien*, J.D. McCoy, and D.B. Adolf
"General relationships between the mobility of a chain fluid and various computed scalar metrics"
J. Chem. Phys. 121, 10291 (2004).
Selected for the Virtual Journal of Biological Physics Research (www.vjbio.org).

J. G. Curro, J. D. McCoy, and Y. Ye*
"Self-Assembly of Polymers in Confined Geometries."
Sandia Report SAND2003-3869 (2003).

J. Budzien*, J.D. McCoy, and D.B. Adolf
"Solute Mobility and Packing Fraction: A New Look at the Doolittle Equation for the Polymer Glass Transition."
J. Chem. Phys. 119, 9269 (2003).

Y. Ye*, J.D. McCoy, and J. G. Curro
"Application of Density Functional Theory to Tethered Polymer Chains: Effects of Inter-Molecular Attractions."
J. Chem. Phys. 119, 555 (2003).
Selected for the Virtual Journal of Biological Physics Research (www.vjbio.org).

M. Tsige, J. G. Curro, G. S. Grest, and J.D. McCoy
"Molecular Dynamics Simulations and Integral Equation Theory of Alkane Chains: Comparison of Explicit and United Atom Models."
Macromolecules 36, 2158 (2003).

A.L. Frischknecht, J.D. Weinhold, A.G. Salinger, J.G. Curro, L.J.D. Frink and J.D. McCoy
"Density functional theory for inhomogeneous polymer systems: I. Numerical methods"
J. Chem. Phys. 117, 10385 (2002).

J.D. McCoy, Y. Ye*, and J.G. Curro,
"Tethered Chains in a Continuum Solvent: Self-Consistent-Field Theory of the Athermal System."
J. Chem. Phys. 117, 2975 (2002).

J. D. McCoy and J.G. Curro.
"Conjectures on the Glass Transition of Polymers in Confined Geometries."
J. Chem. Phys. 116, 9154 (2002).

J. Orme, M. K. Harrrup, J. D. McCoy, D. H. Weinkauf, and F. F. Stewart
"Pervaporation of Water-Dye, Alcohol-Dye, and Water-Alcohol Mixtures Using a Polyphosphazene Membrane"
J. Membrane Sci. 197, 89 (2002).

J. G. Curro, J. D. McCoy, A. L. Frischknecht, and K. Yu
"Molecular Self-Assembly."
Sandia Report SAND2001-3417 (2001).

J. G. Curro D. Rottach* and J. D. McCoy
"Dynamical Properties of Polymers: Computational Modeling."
Sandia Report SAND2001-0171 (2001).

J. D. McCoy, Melody A. Teixeira*, and J. G. Curro
"Polymeric contributions to entropic surface forces."
J. Chem. Phys. 114, 4289 (2001).

J.B. Hooper*, J. D. McCoy, J. G. Curro and F. van Swol
"Density Functional theory of simple polymers in a slit pore: 3. Surface Tension."
J. Chem. Phys. 113, 2021 (2000).

J.B. Hooper*, M. T. Pileggi*, J. D. McCoy, J. G. Curro and J. D. Weinhold
"Density Functional theory of simple polymers in a slit pore: 2. The role of compressibility and field type."
J. Chem. Phys. 112, 3094 (2000).

J.B. Hooper*, J. D. McCoy, and J. G. Curro
"Density Functional theory of simple polymers in a slit pore: 1. Theory and efficient algorithm."
J. Chem. Phys. 112, 3090 (2000).

*student co-author

1995-1999

D. R. Rottach*, P. A. Tillman*, J. D. McCoy, S. J. Plimpton and J. G. Curro
"The diffusion of simple penetrants in tangent site polymer melts."
J. Chem. Phys. 111, 9822-9831 (1999).

J. G. Curro, E. B. Webb III, G.S. Grest, J. D. Weinhold, M. Puetz, and J.D. McCoy
"Comparison between integral equation theory and molecular dynamics simulation for realistic models of polyethylene liquids."
J. Chem. Phys. 111, 9073-9081 (1999).

T.S. Weeks*, D. Adolf, and J.D. McCoy
"Cohesive failure in partially cured epoxies."
Macromolecules 32, 1918-1922 (1999).

J.D. McCoy, and J. G. Curro,
"The mapping of explicit atom onto united atom potentials."
Macromolecules 31,9362-9368 (1998).

J.L. Budzien*, J.D. McCoy, J. G. Curro, R.A. Laviolette, and E.S. Peterson
"The solubility of gases in polyethylene: Integral equation study of standard molecular models."
Macromolecules 31,6669-6675 (1998).
Correction: Macromolecules 31,8653-8654 (1998).

P. A. Tillman*, D.R. Rottach*, J.D. McCoy, S. J. Plimpton, and J.G. Curro
"The Structure and Thermodynamics of Energetically and Structurally Asymmetric Polymer Blends."
J. Chem. Phys. 109, 806-814 (1998).

J.L. Budzien*, J.D. McCoy, D.H. Weinkauf, R.A. Laviolette, and E.S. Peterson
"The Solubility of Gases in Amorphous Polyethylene."
Macromolecules 31, 3368-3371 (1998).

J.G. Curro, J. D. Weinhold, J.D. McCoy, and A. Yethiraj
"The Structure of Amorphous Polymers Near Surfaces: Athermal Systems."
Theor. Comp. Polym. Sci. 8, 159-168 (1998)

J.D. McCoy, S.K. Nath*, J.G. Curro, and R. S. Saunders
"The Interfacial Thickness of Symmetric Diblock Copolymers: Theory and Experiment."
J. Chem. Phys. 108, 3023- 3027 (1998).

P. A. Tillman*, D.R. Rottach*, J.D. McCoy, S. J. Plimpton, and J.G. Curro
"The Effect of Attractions on the Structure and Thermodynamics in Model Polymer Blends."
J. Chem. Phys. 107, 4024 -4032 (1997).

J.G. Curro, K.G. Honnell, and J.D. McCoy
"Theory for the Solubility of Gases in Polymers: Application to Monatomic Solutes."
Macromolecules 30, 145 - 152 (1997).

S.K. Nath*, J.D. McCoy, J. G. Curro, and R. S. Saunders
"The Ordering of Symmetric Diblock Copolymers: A Comparison of Self-Consistent-Field and Density Functional Approaches."
J. Chem. Phys. 106, 1950 - 1960 (1997).

S. Rick, J.D. McCoy, and A.D.J. Haymet,
"Density Functional Theory of Quantum Freezing and the Helium Isotopes."
in Chemical Applications of Density-Functional Theory, pp. 286 - 296,
edited by, B.B. Laird, R. B. Ross and T. Ziegler, (American Chemical Society, Washington, 1996).

J.D. McCoy and S.K. Nath*
"Inhomogeneous Rotational Isomeric State Polyethylene and Alkane Systems"
in Chemical Applications of Density-Functional Theory, pp. 246 - 260,
edited by, B.B. Laird, R. B. Ross and T. Ziegler, (American Chemical Society, Washington, 1996),

S.K. Nath*, J.D. McCoy, J. G. Curro, and R. S. Saunders
"Density Functional Theory of Polymer-Polymer Phase Separation Behavior."
J. Polym. Sci. Part B 33, 2307-2317 (1995).

J.P. Donley, J.J. Rajasekaran, J.D. McCoy, and J. G. Curro,
"Microscopic Approach to Inhomogeneous Polymeric Liquids."
J. Chem. Phys. 103, 5061 - 5069 (1995).

S.K. Nath*, J.D. McCoy, J.P. Donley, and J. G. Curro,
"A Modified Self-Consistent-Field theory: Application to a Homopolymer Melt near a Hard Wall."
J. Chem. Phys. 103, 1635 - 1640 (1995).

C.S. Stevenson*, J. G. Curro, J.D. McCoy, and S.J. Plimpton,
"Molecular Dynamics Simulations of Athermal Polymer Blends: Comparison with Integral Equation Theory."
J. Chem. Phys. 103, 1208 - 1215 (1995).

C.S. Stevenson*, J.D. McCoy, S.J. Plimpton, and J. G. Curro,
"Molecular Dynamics Simulations of Athermal Polymer Blends: Finite System Size Considerations."
J. Chem. Phys. 103, 1200 - 1207 (1995).

J.D. McCoy, S. Mateas*, M. Zorlu*, and J. G. Curro,
"The Role of Excluded Volume in Polyethylene Intermolecular Potentials."
J. Chem. Phys. 102, 8635 - 8641 (1995).

S.K. Nath*, J.D. McCoy, and J. G. Curro,
"Compressibility-Based Hard-Site Models of Linear Polyethylene and the Normal Alkanes."
Macromolecules 28, 3275 - 3281 (1995).

S. Sen*, J.D. McCoy, S.K. Nath*, J.P. Donley, and J. G. Curro
"The Structure of a Rotational Isomeric State Alkane Melt near a Hard Wall: Comparison of Density Functional Theory with Related Theories."
J. Chem. Phys. 102, 3431 - 3439 (1995).

*student co-author

1990-1994

S. Sen*, J. M. Cohen*, J.D. McCoy, and J. G. Curro
"The Structure of a Rotational Isomeric State Alkane Melt near a Hard Wall."
J. Chem. Phys. 101, 9010 - 9015 (1994).

J.P. Donley, J.G. Curro, and J.D. McCoy,
"A Density Functional Theory for Pair correlation Functions in Molecular Liquids."
J. Chem. Phys. 101, 3205 - 3215 (1994).

T. Weeks*, M. Zorlu*, J.D. McCoy, J. Deporter, and J.G. Curro,
"Analysis of Polyolefin Blends by Differential Scanning Calorimetry: Detectability of Polypropylene in High Density Polyethylene-Polypropylene Blends."
ANTEC 2281 - 2662 (1994).

J.G. Curro, A. Yethiraj, K.S. Schweizer, J.D. McCoy, and K.G. Honnell,
"Microscopic Equations-of-State of Hydrocarbon Fluids: Effect of Attractions and Comparison with Polyethylene Experiments."
Macromolecules 26, 2655 - 2662 (1993).

A. Yethiraj, J.G. Curro, K.S. Schweizer, and J.D. McCoy,
"Microscopic Equations-of-State of Polyethylene: Hard-Chain Contribution to the Pressure."
J. Chem. Phys. 98, 1635 - 1646 (1993).

J.D. McCoy, K.G. Honnell, K.S. Schweizer, J. G. Curro, and J. Dana Honeycutt,
"Single-Chain Structure in Model Polyethylene Melts."
Macromolecules 25, 4905 (1992).

A.H. Narten, A. Habenschuss, K.G. Honnell, J.D. McCoy, J.G. Curro, and K.S. Schweizer,
"Diffraction by Macromolecular Fluids."
Faraday Trans. Chem. Soc. 88, 1791 (1992).

J.D. McCoy, K.G. Honnell, K.S. Schweizer, and J. G. Curro,
" Crystallization of Polyethylene and Polytetrafluoroethylene by Density Functional Mehtods."
J. Chem. Phys. 95, 9348-9366 (1991).

K.G. Honnell, J.D. McCoy, J.G. Curro, K.S. Schweizer, A.H. Narten, and A. Habenschuss,
"Local Structure of Polyethylene Melts."
J. Chem. Phys. 94, 4659-4662 (1991).

J.D. McCoy, K.G. Honnell, K.S. Schweizer, and J.G. Curro,
"Polymer Crystallization: Density Functional Theory and Application to Polyethylene."
Chem. Phys. Lett. 179, 374 (1991).

R. McRae, J.D. McCoy,and A.D.J. Haymet,
"Density Functional Theory of Vacancies."
J. Chem. Phys. 93, 4281-4289 (1990).

J.D. McCoy, R. McRae, and A.D.J. Haymet,
"Equilibrium Vacancy Concentration at Melting: The Density Functional Theory."
Chem. Phys. Lett. 169, 549-554 (1990).

S. Rick, J.D. McCoy, and A.D.J. Haymet,
"Density Functional Theory of Freezing for Quantum Systems: 2. Application to Helium."
J. Chem. Phys. 92, 3040-3047 (1990).

J.D. McCoy, S. Rick, and A.D.J. Haymet,
"Density Functional Theory of Freezing for Quantum Systems: 1. Path Integral Formulation of General Theory."
J. Chem. Phys. 92, 3034-3039 (1990).

*student co-author

1980-1989

J.D. McCoy, S. Rick, and A.D.J. Haymet,
"Freezing of Quantum Liquids."
J. Chem. Phys. 90, 4622-4623 (1989).

J.D. McCoy and A.D.J. Haymet,
"Theory of Freezing: The Inhomogeneous Ornstein-Zernike Equation."
Int. J. Therm. 10, 87-100 (1989).

B.B. Laird, J.D. McCoy, and A.D.J. Haymet,
"Density Functional Theory of Freezing for Hexagonal Symmetry: Comparison with Landau Theory."
J. Chem. Phys. 88, 3900-3909 (1988).

B.B. Laird, J.D. McCoy, and A.D.J. Haymet,
"Density Functional Theory of Freezing: Analysis of Crystal Density."
J. Chem. Phys. 87, 5449-5456 (1987).

J.D. McCoy, S.J. Singer, and D. Chandler,
"A Density Functional Treatment of the Hard Dumbell Freezing Transition."
J. Chem. Phys. 87, 4853-4858 (1987).

D. Chandler, J.D. McCoy, and S.J. Singer,
"Density Functional Theory of Nonuniform Polyatomic Systems. II. Rational Closures for Integral Equations."
J. Chem. Phys. 85, 5977-5975 (1986).

D. Chandler, J.D. McCoy, and S.J. Singer,
"Density Functional Theory of Nonuniform Polyatomic Systems.I. General Formulation."
J. Chem. Phys. 85, 5971-5982 (1986).

J.N. Cooper, J.D. McCoy, M.G. Katz, and E. Deutsch,
"Trans Effect in Octahedral Complexes. 4. Kinetic Trans Effect Induced by the S-Bonded Thiosulfatato Ligand in Bis(ethylenediamine)cobalt(III) Complexes."
Inorganic Chemistry 19, 2265-2271 (1980).

*student co-author

Most Cited

as of 4/12

H-index of 26
Total Times Cited: 1,920

1) D. Chandler, J.D. McCoy, and S.J. Singer,
"Density Functional Theory of Nonuniform Polyatomic Systems.I. General Formulation." J. Chem. Phys. 85, 5971-5982 (1986). Cited: 275

2) D. Chandler, J.D. McCoy, and S.J. Singer,
"Density Functional Theory of Nonuniform Polyatomic Systems. II. Rational Closures for Integral Equations." J. Chem. Phys. 85, 5977-5975 (1986). Cited: 151

3) K.G. Honnell, J.D. McCoy, J.G. Curro, K.S. Schweizer, A.H. Narten, and A. Habenschuss,
"Local Structure of Polyethylene Melts." J. Chem. Phys. 94, 4659-4662 (1991). Cited: 93

4) J.B. Hooper*, J. D. McCoy, and J. G. Curro "Density Functional theory of simple polymers in a slit pore: 1. Theory and efficient algorithm." J. Chem. Phys. 112, 3090 (2000). Cited: 61

5) J.D. McCoy, S.J. Singer, and D. Chandler,
"A Density Functional Treatment of the Hard Dumbell Freezing Transition." J. Chem. Phys. 87, 4853-4858 (1987). Cited: 61

6) S. Sen*, J. M. Cohen*, J.D. McCoy, and J. G. Curro
"The Structure of a Rotational Isomeric State Alkane Melt near a Hard Wall." J. Chem. Phys. 101, 9010 - 9015 (1994). Cited: 60

7) J.D. McCoy, K.G. Honnell, K.S. Schweizer, and J. G. Curro,
"Conjectures on the glass transition of polymers in confined geometries" J. Chem. Phys. 116, 9154-9157 (2002). Cited: 60

8) B.B. Laird, J.D. McCoy, and A.D.J. Haymet,
"Density Functional Theory of Freezing: Analysis of Crystal Density." J. Chem. Phys. 87, 5449-5456 (1987). Cited: 59

9) A. Yethiraj, J.G. Curro, K.S. Schweizer, and J.D. McCoy,
"Microscopic Equations-of-State of Polyethylene: Hard-Chain Contribution to the Pressure." J. Chem. Phys. 98, 1635 - 1646 (1993). Cited: 55

10) J.P. Donley, J.G. Curro, and J.D. McCoy,
"A Density Functional Theory for Pair correlation Functions in Molecular Liquids." J. Chem. Phys. 101, 3205 - 3215 (1994). Cited: 54

11) J.D. McCoy, K.G. Honnell, K.S. Schweizer, and J. G. Curro,
"Crystallization of Polyethylene and Polytetrafluoroethylene by Density Functional Mehtods." J. Chem. Phys. 95, 9348-9366 (1991). Cited: 53