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Peter T. Cummings - Publications

Affiliations: 
Chemical and Biomolecular Engineering Vanderbilt University, Nashville, TN 
Area:
Molecular Modeling
Website:
http://engineering.vanderbilt.edu/chbe/FacultyResearch/peter-cummings.php
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Year Citation  Score
2021 Middlebrooks SA, Zhao X, Ford RM, Cummings PT. A Mathematical Model for Escherichia coli Chemotaxis to Competing Stimuli. Biotechnology and Bioengineering. PMID 34463958 DOI: 10.1002/bit.27930  0.473
2021 Kalyuzhnyi YV, Nezbeda I, Cummings PT. Integral equation theory for mixtures of spherical and patchy colloids. 2. Numerical results. Soft Matter. PMID 33662078 DOI: 10.1039/d0sm02284e  0.536
2020 Kalyuzhnyi YV, Nezbeda I, Cummings PT. Integral equation theory for a mixture of spherical and patchy colloids: analytical description. Soft Matter. PMID 32201867 DOI: 10.1039/C9Sm02309G  0.589
2020 Zheng T, Zhang Y, Wu C, Zhou L, Cummings PT. Molecular investigations of tripeptide adsorption onto TiO2 surfaces: Synergetic effects of surface nanostructure, hydroxylation and bioactive ions Applied Surface Science. 512: 145713. DOI: 10.1016/J.Apsusc.2020.145713  0.323
2019 Black JE, Summers AZ, Iacovella CR, Cummings PT, McCabe C. Investigation of the Impact of Cross-Polymerization on the Structural and Frictional Properties of Alkylsilane Monolayers Using Molecular Simulation. Nanomaterials (Basel, Switzerland). 9. PMID 31010181 DOI: 10.3390/Nano9040639  0.302
2019 Osti NC, Matsumoto RA, Thompson MW, Cummings PT, Tyagi M, Mamontov E. Microscopic Dynamics in an Ionic Liquid Augmented with Organic Solvents The Journal of Physical Chemistry C. 123: 19354-19361. DOI: 10.1021/Acs.Jpcc.9B05119  0.337
2019 Zhang Y, Dyatkin B, Cummings PT. Molecular Investigation of Oxidized Graphene: Anatomy of the Double-Layer Structure and Ion Dynamics Journal of Physical Chemistry C. DOI: 10.1021/Acs.Jpcc.9B01617  0.321
2018 Hvozd TV, Kalyuzhnyi YV, Cummings PT. Phase Equilibria of Polydisperse Square-Well Chain Fluid Confined in Random Porous Media: TPT of Wertheim and Scaled Particle Theory. The Journal of Physical Chemistry. B. PMID 29656640 DOI: 10.1021/Acs.Jpcb.7B11741  0.309
2018 Kalyuzhnyi Y, Reščič J, Holovko M, Cummings P. Primitive models of room temperature ionic liquids. Liquid-gas phase coexistence Journal of Molecular Liquids. 270: 7-13. DOI: 10.1016/J.Molliq.2018.01.109  0.368
2018 Dyatkin B, Osti NC, Gallegos A, Zhang Y, Mamontov E, Cummings PT, Wu J, Gogotsi Y. Electrolyte cation length influences electrosorption and dynamics in porous carbon supercapacitors Electrochimica Acta. 283: 882-893. DOI: 10.1016/J.Electacta.2018.06.200  0.351
2018 Dyatkin B, Osti NC, Zhang Y, Wang H, Mamontov E, Heller WT, Zhang P, Rother G, Cummings PT, Wesolowski DJ, Gogotsi Y. Ionic liquid structure, dynamics, and electrosorption in carbon electrodes with bimodal pores and heterogeneous surfaces Carbon. 129: 104-118. DOI: 10.1016/J.Carbon.2017.12.001  0.334
2017 Summers AZ, Iacovella CR, Cummings PT, McCabe C. Investigating Alkylsilane Monolayer Tribology at a Single-Asperity Contact with Molecular Dynamics Simulation. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28915731 DOI: 10.1021/Acs.Langmuir.7B02479  0.336
2017 Kalyuzhnyi YV, Jamnik A, Cummings PT. Melting upon cooling and freezing upon heating: fluid-solid phase diagram for Švejk-Hašek model of dimerizing hard spheres. Soft Matter. PMID 28097283 DOI: 10.1039/C6Sm02572B  0.318
2016 Reščič J, Kalyuzhnyi YV, Cummings PT. Shielded attractive shell model again: resummed thermodynamic perturbation theory for central force potential. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 28: 414011. PMID 27545613 DOI: 10.1088/0953-8984/28/41/414011  0.34
2016 Zheng T, Wu C, Chen M, Zhang Y, Cummings PT. A DFT study of water adsorption on rutile TiO2 (110) surface: The effects of surface steps. The Journal of Chemical Physics. 145: 044702. PMID 27475381 DOI: 10.1063/1.4958969  0.351
2016 Summers AZ, Iacovella CR, Billingsley MR, Arnold ST, Cummings PT, McCabe C. Influence of Surface Morphology on the Shear-Induced Wear of Alkylsilane Monolayers: Molecular Dynamics Study. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 26885941 DOI: 10.1021/Acs.Langmuir.5B03862  0.307
2016 Dyatkin B, Zhang Y, Mamontov E, Kolesnikov AI, Cheng Y, Meyer HM, Cummings PT, Gogotsi Y. Influence of Surface Oxidation on Ion Dynamics and Capacitance in Porous and Nonporous Carbon Electrodes Journal of Physical Chemistry C. 120: 8730-8741. DOI: 10.1021/Acs.Jpcc.6B01204  0.31
2016 Guo C, Wu C, Chen M, Zheng T, Chen N, Cummings PT. Molecular modeling of fibronectin adsorption on topographically nanostructured rutile (110) surfaces Applied Surface Science. 384: 36-44. DOI: 10.1016/J.Apsusc.2016.05.014  0.308
2016 Feng G, Zhao W, Cummings PT, Li S. Molecular simulation study of dynamical properties of room temperature ionic liquids with carbon pieces Science China Chemistry. 1-7. DOI: 10.1007/S11426-016-5580-5  0.407
2015 Haley JD, Iacovella CR, Cummings PT, McCabe C. Examining the aggregation behavior of polymer grafted nanoparticles using molecular simulation and theory. The Journal of Chemical Physics. 143: 054904. PMID 26254667 DOI: 10.1063/1.4927819  0.327
2015 Gai L, Iacovella CR, Wan L, McCabe C, Cummings PT. Examination of the phase transition behavior of nano-confined fluids by statistical temperature molecular dynamics. The Journal of Chemical Physics. 143: 054504. PMID 26254658 DOI: 10.1063/1.4927710  0.317
2015 Kalyuzhnyi YV, Vasilyev OA, Cummings PT. Inverse patchy colloids with two and three patches. Analytical and numerical study. The Journal of Chemical Physics. 143: 044904. PMID 26233161 DOI: 10.1063/1.4927168  0.377
2015 Black JE, Iacovella CR, Cummings PT, McCabe C. Molecular dynamics study of alkylsilane monolayers on realistic amorphous silica surfaces. Langmuir : the Acs Journal of Surfaces and Colloids. 31: 3086-93. PMID 25720502 DOI: 10.1021/La5049858  0.356
2015 Uysal A, Zhou H, Feng G, Lee SS, Li S, Cummings PT, Fulvio PF, Dai S, McDonough JK, Gogotsi Y, Fenter P. Interfacial ionic 'liquids': connecting static and dynamic structures. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 27: 032101. PMID 25475119 DOI: 10.1088/0953-8984/27/3/032101  0.323
2015 Chialvo AA, Vlcek L, Cummings PT. Compounding effects of fluid confinement and surface strain on the wet-dry transition, thermodynamic response, and dynamics of water-graphene systems Molecular Physics. 113: 1033-1042. DOI: 10.1080/00268976.2014.968228  0.316
2015 Black JM, Baris Okatan M, Feng G, Cummings PT, Kalinin SV, Balke N. Topological defects in electric double layers of ionic liquids at carbon interfaces Nano Energy. 15: 737-745. DOI: 10.1016/J.Nanoen.2015.05.037  0.3
2015 Feng G, Li S, Zhao W, Cummings PT. Microstructure of room temperature ionic liquids at stepped graphite electrodes Aiche Journal. 61: 3022-3028. DOI: 10.1002/Aic.14927  0.391
2014 Jallouk AP, Cummings PT. Audibilization: Data Analysis by Ear. Journal of Chemical Theory and Computation. 10: 1387-94. PMID 26580358 DOI: 10.1021/Ct401105X  0.364
2014 Kalyuzhnyi YV, Holovko M, Patsahan T, Cummings PT. Phase Behavior and Percolation Properties of the Patchy Colloidal Fluids in the Random Porous Media. The Journal of Physical Chemistry Letters. 5: 4260-4. PMID 26273972 DOI: 10.1021/Jz502135F  0.308
2014 Li S, Bañuelos JL, Zhang P, Feng G, Dai S, Rother G, Cummings PT. Toward understanding the structural heterogeneity and ion pair stability in dicationic ionic liquids. Soft Matter. 10: 9193-200. PMID 25328976 DOI: 10.1039/C4Sm01742K  0.32
2014 Li S, Feng G, Cummings PT. Interfaces of dicationic ionic liquids and graphene: a molecular dynamics simulation study. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 26: 284106. PMID 24920318 DOI: 10.1088/0953-8984/26/28/284106  0.326
2014 Uysal A, Zhou H, Feng G, Lee SS, Li S, Fenter P, Cummings PT, Fulvio PF, Dai S, McDonough JK, Gogotsi Y. Structural origins of potential dependent hysteresis at the electrified graphene/ionic liquid interface Journal of Physical Chemistry C. 118: 569-574. DOI: 10.1021/Jp4111025  0.327
2014 Li S, Van Aken KL, McDonough JK, Feng G, Gogotsi Y, Cummings PT. The electrical double layer of dicationic ionic liquids at onion-like carbon surface Journal of Physical Chemistry C. 118: 3901-3909. DOI: 10.1021/Jp409888F  0.427
2014 Bañuelos JL, Feng G, Fulvio PF, Li S, Rother G, Dai S, Cummings PT, Wesolowski DJ. Densification of ionic liquid molecules within a hierarchical nanoporous carbon structure revealed by small-angle scattering and molecular dynamics simulation Chemistry of Materials. 26: 1144-1153. DOI: 10.1021/Cm4035159  0.38
2014 Bañuelos JL, Feng G, Fulvio PF, Li S, Rother G, Arend N, Faraone A, Dai S, Cummings PT, Wesolowski DJ. The influence of a hierarchical porous carbon network on the coherent dynamics of a nanoconfined room temperature ionic liquid: A neutron spin echo and atomistic simulation investigation Carbon. 78: 415-427. DOI: 10.1016/J.Carbon.2014.07.020  0.37
2013 French WR, Pervaje AK, Santos AP, Iacovella CR, Cummings PT. Probing the Statistical Validity of the Ductile-to-Brittle Transition in Metallic Nanowires Using GPU Computing. Journal of Chemical Theory and Computation. 9: 5558-66. PMID 26592289 DOI: 10.1021/Ct400885Z  0.717
2013 French WR, Iacovella CR, Rungger I, Souza AM, Sanvito S, Cummings PT. Structural Origins of Conductance Fluctuations in Gold-Thiolate Molecular Transport Junctions. The Journal of Physical Chemistry Letters. 4: 887-91. PMID 26291351 DOI: 10.1021/Jz4001104  0.711
2013 Hlushak SP, Cummings PT, McCabe C. Comparison of several classical density functional theories for the adsorption of flexible chain molecules into cylindrical nanopores. The Journal of Chemical Physics. 139: 234902. PMID 24359388 DOI: 10.1063/1.4843655  0.328
2013 Gai L, Vogel T, Maerzke KA, Iacovella CR, Landau DP, Cummings PT, McCabe C. Examining the phase transition behavior of amphiphilic lipids in solution using statistical temperature molecular dynamics and replica-exchange Wang-Landau methods. The Journal of Chemical Physics. 139: 054505. PMID 23927268 DOI: 10.1063/1.4816520  0.357
2013 Kalyuzhnyi YV, Marshall BD, Chapman WG, Cummings PT. Second-order resummed thermodynamic perturbation theory for central-force associating potential: multi-patch colloidal models. The Journal of Chemical Physics. 139: 044909. PMID 23902021 DOI: 10.1063/1.4816128  0.319
2013 Li S, Han KS, Feng G, Hagaman EW, Vlcek L, Cummings PT. Dynamic and structural properties of room-temperature ionic liquids near silica and carbon surfaces. Langmuir : the Acs Journal of Surfaces and Colloids. 29: 9744-9. PMID 23845079 DOI: 10.1021/La401172Z  0.326
2013 French WR, Iacovella CR, Rungger I, Souza AM, Sanvito S, Cummings PT. Atomistic simulations of highly conductive molecular transport junctions under realistic conditions. Nanoscale. 5: 3654-9. PMID 23552959 DOI: 10.1039/C3Nr00459G  0.687
2013 Wu C, Chen M, Skelton AA, Cummings PT, Zheng T. Adsorption of arginine-glycine-aspartate tripeptide onto negatively charged rutile (110) mediated by cations: the effect of surface hydroxylation. Acs Applied Materials & Interfaces. 5: 2567-79. PMID 23461392 DOI: 10.1021/Am3031568  0.311
2013 Feng G, Li S, Presser V, Cummings PT. Molecular insights into carbon supercapacitors based on room-temperature ionic liquids Journal of Physical Chemistry Letters. 4: 3367-3376. DOI: 10.1021/Jz4014163  0.315
2013 French WR, Iacovella CR, Rungger I, Souza AM, Sanvito S, Cummings PT. Structural origins of conductance fluctuations in gold-thiolate molecular transport junctions Journal of Physical Chemistry Letters. 4: 887-891. DOI: 10.1021/jz4001104  0.66
2013 Chialvo AA, Vlcek L, Cummings PT. Surface corrugation effects on the water-graphene interfacial and confinement behavior Journal of Physical Chemistry C. 117: 23875-23886. DOI: 10.1021/Jp408893B  0.342
2013 P?edota M, Machesky ML, Wesolowski DJ, Cummings PT. Electric double layer at the rutile (110) surface. 4. effect of temperature and ph on the adsorption and dynamics of ions Journal of Physical Chemistry C. 117: 22852-22866. DOI: 10.1021/Jp407124P  0.322
2013 Li S, Feng G, Bañuelos JL, Rother G, Fulvio PF, Dai S, Cummings PT. Distinctive nanoscale organization of dicationic versus monocationic ionic liquids Journal of Physical Chemistry C. 117: 18251-18257. DOI: 10.1021/Jp406381G  0.314
2013 Feng G, Li S, Atchison JS, Presser V, Cummings PT. Molecular insights into carbon nanotube supercapacitors: Capacitance independent of voltage and temperature Journal of Physical Chemistry C. 117: 9178-9186. DOI: 10.1021/Jp403547K  0.302
2013 French WR, Pervaje AK, Santos AP, Iacovella CR, Cummings PT. Probing the statistical validity of the ductile-to-brittle transition in metallic nanowires using GPU computing Journal of Chemical Theory and Computation. 9: 5558-5566. DOI: 10.1021/ct400885z  0.636
2013 Li S, Zhao X, Mo Y, Cummings PT, Heller WT. Human serum albumin interactions with C60 fullerene studied by spectroscopy, small-angle neutron scattering, and molecular dynamics simulations Journal of Nanoparticle Research. 15. DOI: 10.1007/S11051-013-1769-0  0.404
2013 Iacovella CR, Varga G, Sallai J, Mukherjee S, Ledeczi A, Cummings PT. A model-integrated computing approach to nanomaterials simulation Theoretical Chemistry Accounts. 132: 1-9. DOI: 10.1007/S00214-012-1315-7  0.318
2012 Li S, Feng G, Fulvio PF, Hillesheim PC, Liao C, Dai S, Cummings PT. Molecular Dynamics Simulation Study of the Capacitive Performance of a Binary Mixture of Ionic Liquids near an Onion-like Carbon Electrode. The Journal of Physical Chemistry Letters. 3: 2465-9. PMID 26292134 DOI: 10.1021/Jz3009387  0.339
2012 Maerzke KA, Gai L, Cummings PT, McCabe C. Incorporating configurational-bias Monte Carlo into the Wang-Landau algorithm for continuous molecular systems. The Journal of Chemical Physics. 137: 204105. PMID 23205979 DOI: 10.1063/1.4766354  0.321
2012 Gai L, Maerzke K, Cummings PT, McCabe C. A Wang-Landau study of a lattice model for lipid bilayer self-assembly. The Journal of Chemical Physics. 137: 144901. PMID 23061859 DOI: 10.1063/1.4754536  0.326
2012 Hlushak SP, McCabe C, Cummings PT. Fourier space approach to the classical density functional theory for multi-Yukawa and square-well fluids. The Journal of Chemical Physics. 137: 104104. PMID 22979847 DOI: 10.1063/1.4749381  0.313
2012 French WR, Iacovella CR, Cummings PT. Large-scale atomistic simulations of environmental effects on the formation and properties of molecular junctions. Acs Nano. 6: 2779-89. PMID 22335340 DOI: 10.1021/Nn300276M  0.722
2012 Wu C, Skelton AA, Chen M, Vlček L, Cummings PT. Modeling the interaction between integrin-binding peptide (RGD) and rutile surface: the effect of cation mediation on Asp adsorption. Langmuir : the Acs Journal of Surfaces and Colloids. 28: 2799-811. PMID 22220570 DOI: 10.1021/La204329D  0.306
2012 Buenzli PR, Jeon J, Pivonka P, Smith DW, Cummings PT. Investigation of bone resorption within a cortical basic multicellular unit using a lattice-based computational model. Bone. 50: 378-89. PMID 22100414 DOI: 10.1016/J.Bone.2011.10.021  0.738
2012 Wesolowski DJ, Sofo JO, Bandura AV, Zhang Z, Mamontov E, P?edota M, Kumar N, Kubicki JD, Kent PRC, Vlcek L, MacHesky ML, Fenter PA, Cummings PT, Anovitz LM, Skelton AA, et al. Comment on "structure and dynamics of liquid water on rutile TiO 2(110)" Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.167401  0.369
2012 Li S, Feng G, Fulvio PF, Hillesheim PC, Liao C, Dai S, Cummings PT. Molecular dynamics simulation study of the capacitive performance of a binary mixture of ionic liquids near an onion-like carbon electrode Journal of Physical Chemistry Letters. 3: 2465-2469. DOI: 10.1021/jz3009387  0.329
2012 Li S, Bañuelos JL, Guo J, Anovitz L, Rother G, Shaw RW, Hillesheim PC, Dai S, Baker GA, Cummings PT. Alkyl chain length and temperature effects on structural properties of pyrrolidinium-based ionic liquids: A combined atomistic simulation and small-angle x-ray scattering study Journal of Physical Chemistry Letters. 3: 125-130. DOI: 10.1021/Jz2013209  0.325
2012 Han KS, Li S, Hagaman EW, Baker GA, Cummings P, Dai S. Rotational and translational dynamics of N -butyl- N -methylpiperidinium trifluoromethanesulfonimide ionic liquids studied by NMR and MD simulations Journal of Physical Chemistry C. 116: 20779-20786. DOI: 10.1021/Jp3069283  0.32
2012 Srivastava R, Singh JK, Cummings PT. Effect of electric field on water confined in graphite and mica pores Journal of Physical Chemistry C. 116: 17594-17603. DOI: 10.1021/Jp304144S  0.324
2011 Iacovella CR, French WR, Cook BG, Kent PR, Cummings PT. Role of polytetrahedral structures in the elongation and rupture of gold nanowires. Acs Nano. 5: 10065-73. PMID 22040227 DOI: 10.1021/Nn203941R  0.711
2011 Skelton AA, Wesolowski DJ, Cummings PT. Investigating the quartz (1010)/water interface using classical and ab initio molecular dynamics. Langmuir : the Acs Journal of Surfaces and Colloids. 27: 8700-9. PMID 21648451 DOI: 10.1021/La2005826  0.342
2011 Chialvo AA, Cummings PT. Aqua ions-graphene interfacial and confinement behavior: insights from isobaric-isothermal molecular dynamics. The Journal of Physical Chemistry. A. 115: 5918-27. PMID 21491923 DOI: 10.1021/Jp110318N  0.345
2011 Machesky M, Wesolowski D, Rosenqvist J, P?edota M, Vlcek L, Ridley M, Kohli V, Zhang Z, Fenter P, Cummings P, Lvov S, Fedkin M, Rodriguez-Santiago V, Kubicki J, Bandura A. Comparison of cation adsorption by isostructural rutile and cassiterite. Langmuir : the Acs Journal of Surfaces and Colloids. 27: 4585-93. PMID 21417233 DOI: 10.1021/La1040163  0.321
2011 Fenter P, Lee SS, Skelton AA, Cummings PT. Direct and quantitative comparison of pixelated density profiles with high-resolution X-ray reflectivity data. Journal of Synchrotron Radiation. 18: 257-65. PMID 21335914 DOI: 10.1107/S0909049510040422  0.313
2011 Tripathi M, Potdar AA, Yamashita H, Weidow B, Cummings PT, Kirchhofer D, Quaranta V. Laminin-332 cleavage by matriptase alters motility parameters of prostate cancer cells. The Prostate. 71: 184-96. PMID 20672321 DOI: 10.1002/Pros.21233  0.621
2011 Docherty H, Dyer PJ, Cummings PT. The importance of polarisability in the modelling of solubility: Quantifying the effect of charged co-solutes on the solubility of small non-polar solutes Molecular Simulation. 37: 299-309. DOI: 10.1080/08927022.2011.553225  0.767
2011 Feng G, Cummings PT. Supercapacitor capacitance exhibits oscillatory behavior as a function of nanopore size Journal of Physical Chemistry Letters. 2: 2859-2864. DOI: 10.1021/Jz201312E  0.301
2011 French WR, Iacovella CR, Cummings PT. The influence of molecular adsorption on elongating gold nanowires Journal of Physical Chemistry C. 115: 18422-18433. DOI: 10.1021/Jp203837R  0.724
2011 Srivastava R, Docherty H, Singh JK, Cummings PT. Phase transitions of water in graphite and mica pores Journal of Physical Chemistry C. 115: 12448-12457. DOI: 10.1021/Jp2003563  0.36
2011 Skelton AA, Fenter P, Kubicki JD, Wesolowski DJ, Cummings PT. Simulations of the quartz(10̄11)/water interface: A comparison of classical force fields, Ab initio molecular dynamics, and x-ray reflectivity experiments Journal of Physical Chemistry C. 115: 2076-2088. DOI: 10.1021/Jp109446D  0.369
2011 Protsykevytch IA, Kalyuzhnyi YV, Cummings PT. Phase behavior of a simple model of ferrocolloidal fluid Chemical Physics Letters. 503: 226-230. DOI: 10.1016/J.Cplett.2011.01.009  0.315
2011 Kalyuzhnyi YV, Iacovella CR, Docherty H, Holovko M, Cummings PT. Network Forming Fluids: Yukawa Square-Well m-Point Model Journal of Statistical Physics. 145: 481-506. DOI: 10.1007/S10955-011-0264-1  0.363
2010 Kalyuzhnyi YV, Docherty H, Cummings PT. Resummed thermodynamic perturbation theory for central force associating potential: One-patch model. The Journal of Chemical Physics. 133: 044502. PMID 20687658 DOI: 10.1063/1.3459098  0.339
2010 Gruver JS, Potdar AA, Jeon J, Sai J, Anderson B, Webb D, Richmond A, Quaranta V, Cummings PT, Chung CY. Bimodal analysis reveals a general scaling law governing nondirected and chemotactic cell motility. Biophysical Journal. 99: 367-76. PMID 20643054 DOI: 10.1016/J.Bpj.2010.03.073  0.763
2010 Potdar AA, Jeon J, Weaver AM, Quaranta V, Cummings PT. Human mammary epithelial cells exhibit a bimodal correlated random walk pattern. Plos One. 5: e9636. PMID 20224792 DOI: 10.1371/Journal.Pone.0009636  0.771
2010 Jeon J, Quaranta V, Cummings PT. An off-lattice hybrid discrete-continuum model of tumor growth and invasion. Biophysical Journal. 98: 37-47. PMID 20074513 DOI: 10.1016/J.Bpj.2009.10.002  0.751
2010 Leng Y, Lei Y, Cummings PT. Comparative studies on the structure and diffusion dynamics of aqueous and nonpolar liquid films under nanometers confinement Modelling and Simulation in Materials Science and Engineering. 18. DOI: 10.1088/0965-0393/18/3/034007  0.349
2010 Glotzer SC, Fuchs AH, Okazaki S, Moore J, Cummings PT. Molecular Simulation: Foreword Molecular Simulation. 36: 1196. DOI: 10.1080/08927022.2010.534898  0.333
2010 Pu Q, Leng Y, Zhao X, Cummings PT. Molecular simulation studies on the elongation of gold nanowires in benzenedithiol Journal of Physical Chemistry C. 114: 10365-10372. DOI: 10.1021/Jp101689U  0.61
2009 Rosenqvist J, Machesky ML, Vlcek L, Cummings PT, Wesolowski DJ. Charging properties of cassiterite (alpha-SnO(2)) surfaces in NaCl and RbCl ionic media. Langmuir : the Acs Journal of Surfaces and Colloids. 25: 10852-62. PMID 19673509 DOI: 10.1021/La901396W  0.321
2009 Mamontov E, Vlcek L, Wesolowski DJ, Cummings PT, Rosenqvist J, Wang W, Cole DR, Anovitz LM, Gasparovic G. Suppression of the dynamic transition in surface water at low hydration levels: a study of water on rutile. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 79: 051504. PMID 19518459 DOI: 10.1103/Physreve.79.051504  0.356
2009 Potdar AA, Lu J, Jeon J, Weaver AM, Cummings PT. Bimodal analysis of mammary epithelial cell migration in two dimensions. Annals of Biomedical Engineering. 37: 230-45. PMID 18982450 DOI: 10.1007/S10439-008-9592-Y  0.761
2009 Redmill PS, Capps SL, Cummings PT, McCabe C. A molecular dynamics study of the Gibbs free energy of solvation of fullerene particles in octanol and water Carbon. 47: 2865-2874. DOI: 10.1016/J.Carbon.2009.06.040  0.788
2008 Jeon J, Alexander NR, Weaver AM, Cummings PT. Protrusion of a Virtual Model Lamellipodium by Actin Polymerization: A Coarse-grained Langevin Dynamics Model. Journal of Statistical Physics. 133: 79-100. PMID 20351797 DOI: 10.1007/S10955-008-9600-5  0.745
2008 Koparde VN, Cummings PT. Phase transformations during sintering of titania nanoparticles. Acs Nano. 2: 1620-4. PMID 19206364 DOI: 10.1021/Nn800092M  0.677
2008 Pu Q, Leng Y, Cummings PT. Rate-dependent energy release mechanism of gold nanowires under elongation. Journal of the American Chemical Society. 130: 17907-12. PMID 19063627 DOI: 10.1021/Ja806319G  0.582
2008 Machesky ML, Predota M, Wesolowski DJ, Vlcek L, Cummings PT, Rosenqvist J, Ridley MK, Kubicki JD, Bandura AV, Kumar N, Sofo JO. Surface protonation at the rutile (110) interface: explicit incorporation of solvation structure within the refined MUSIC model framework. Langmuir : the Acs Journal of Surfaces and Colloids. 24: 12331-9. PMID 18842061 DOI: 10.1021/La801356M  0.708
2008 Payne CM, Zhao X, Cummings PT. Electrophoresis of ssDNA through nanoelectrode gaps from molecular dynamics: impact of gap width and chain length. The Journal of Physical Chemistry. B. 112: 12851-8. PMID 18783267 DOI: 10.1021/Jp802258V  0.588
2008 Dyer PJ, Docherty H, Cummings PT. The importance of polarizability in the modeling of solubility: quantifying the effect of solute polarizability on the solubility of small nonpolar solutes in popular models of water. The Journal of Chemical Physics. 129: 024508. PMID 18624539 DOI: 10.1063/1.2953324  0.774
2008 Hlushak SP, Kalyuzhnyi YV, Cummings PT. Phase coexistence in polydisperse athermal polymer-colloidal mixture. The Journal of Chemical Physics. 128: 154907. PMID 18433277 DOI: 10.1063/1.2907723  0.301
2008 Payne CM, Zhao X, Vlcek L, Cummings PT. Molecular dynamics simulation of ss-DNA translocation between copper nanoelectrodes incorporating electrode charge dynamics. The Journal of Physical Chemistry. B. 112: 1712-7. PMID 18211061 DOI: 10.1021/Jp077483E  0.554
2008 Wesolowski DJ, Machesky ML, Ridley MK, Palmer DA, Zhang Z, Fenter P, Předota M, Cummings PT. Ion adsorption on metal oxide surfaces to hydrothermal conditions Ecs Transactions. 11: 167-180. DOI: 10.1149/1.2939086  0.615
2008 Vlček L, Cummings PT. Adsorption of water on TiO2 and SnO2 surfaces: Molecular dynamics study Collection of Czechoslovak Chemical Communications. 73: 575-589. DOI: 10.1135/Cccc20080575  0.343
2008 Mamontov E, Wesolowski DJ, Vlcek L, Cummings PT, Rosenqvist J, Wang W, Cole DR. Dynamics of hydration water on rutile studied by backscattering neutron spectroscopy and molecular dynamics simulation Journal of Physical Chemistry C. 112: 12334-12341. DOI: 10.1021/Jp711965X  0.372
2008 Zhao X, Payne CM, Cummings PT. Controlled translocation of DNA segments through nanoelectrode gaps from molecular dynamics Journal of Physical Chemistry C. 112: 8-12. DOI: 10.1021/Jp709652Y  0.561
2008 Koparde VN, Cummings PT. Sintering of titanium dioxide nanoparticles: A comparison between molecular dynamics and phenomenological modeling Journal of Nanoparticle Research. 10: 1169-1182. DOI: 10.1007/S11051-007-9342-3  0.72
2007 Zhao X, Payne CM, Cummings PT, Lee JW. Single-strand DNA molecule translocation through nanoelectrode gaps. Nanotechnology. 18: 424018. PMID 21730451 DOI: 10.1088/0957-4484/18/42/424018  0.558
2007 Pu Q, Leng Y, Zhao X, Cummings PT. Molecular simulations of stretching gold nanowires in solvents. Nanotechnology. 18: 424007. PMID 21730440 DOI: 10.1088/0957-4484/18/42/424007  0.613
2007 Striolo A, McCabe C, Cummings PT, Chan ER, Glotzer SC. Aggregation of POSS monomers in liquid hexane: a molecular-simulation study. The Journal of Physical Chemistry. B. 111: 12248-56. PMID 17918877 DOI: 10.1021/Jp071730X  0.383
2007 Chan ER, Striolo A, McCabe C, Cummings PT, Glotzer SC. Coarse-grained force field for simulating polymer-tethered silsesquioxane self-assembly in solution. The Journal of Chemical Physics. 127: 114102. PMID 17887823 DOI: 10.1063/1.2753493  0.338
2007 Pu Q, Leng Y, Tsetseris L, Park HS, Pantelides ST, Cummings PT. Molecular dynamics simulations of stretched gold nanowires: the relative utility of different semiempirical potentials. The Journal of Chemical Physics. 126: 144707. PMID 17444732 DOI: 10.1063/1.2717162  0.596
2007 Vlcek L, Zhang Z, Machesky ML, Fenter P, Rosenqvist J, Wesolowski DJ, Anovitz LM, Predota M, Cummings PT. Electric double layer at metal oxide surfaces: static properties of the cassiterite-water interface. Langmuir : the Acs Journal of Surfaces and Colloids. 23: 4925-37. PMID 17381142 DOI: 10.1021/La063306D  0.705
2007 Kalyuzhnyi YV, Protsykevitch IA, Cummings PT. Liqud-gas phase behavior of Stockmayer fluid with high dipolar moment Condensed Matter Physics. 10: 553-562. DOI: 10.5488/Cmp.10.4.553  0.319
2007 Kalyuzhnyi YV, Protsykevytch IA, Cummings PT. Thermodynamic properties and liquid-gas phase diagram of the dipolar hard-sphere fluid Epl. 80. DOI: 10.1209/0295-5075/80/56002  0.311
2007 Tao Z, Cummings PT. Molecular dynamics simulation of inorganic ions in PEO aqueous solution Molecular Simulation. 33: 1255-1260. DOI: 10.1080/08927020701697691  0.332
2007 McCabe C, Golab JT, Cummings PT. Third Foundations of Molecular Modeling and Simulation Conference FOMMS 2006 Molecular Simulation. 33: 277. DOI: 10.1080/08927020701236995  0.352
2007 Payne CM, Zhao X, Cummings PT. Molecular simulations of DNA transport in solution Molecular Simulation. 33: 399-403. DOI: 10.1080/08927020601154355  0.58
2007 McCabe C, Golab JT, Cummings PT. Third Foundations of Molecular Modeling and Simulation conference FOMMS 2006 Molecular Physics. 105: 137. DOI: 10.1080/00268970701227903  0.352
2007 Leng YS, Dyer PJ, Krstic PS, Harrison RJ, Cummings PT. Calibration of chemical bonding between benzenedithiolate and gold: The effects of geometry and size of gold clusters Molecular Physics. 105: 293-300. DOI: 10.1080/00268970601149298  0.757
2007 Mamontov E, Vlcek L, Wesolowski DJ, Cummings PT, Wang W, Anovitz LM, Rosenqvist J, Brown CM, Sakai VG. Dynamics and structure of hydration water on rutile and cassiterite nanopowders studied by quasielastic neutron scattering and molecular dynamics simulations Journal of Physical Chemistry C. 111: 4328-4341. DOI: 10.1021/Jp067242R  0.369
2007 Koparde VN, Cummings PT. Molecular dynamics study of water adsorption on TiO2 nanoparticles Journal of Physical Chemistry C. 111: 6920-6926. DOI: 10.1021/Jp0666380  0.705
2007 Předota M, Cummings PT, Wesolowski DJ. Electric double layer at the rutile (110) surface. 3. Inhomogeneous viscosity and diffusivity measurement by computer simulations Journal of Physical Chemistry C. 111: 3071-3079. DOI: 10.1021/Jp065165U  0.708
2007 Kalyuzhnyi YV, Vlachy V, Cummings PT. Modeling solution of flexible polyelectrolyte in explicit solvent Chemical Physics Letters. 438: 238-243. DOI: 10.1016/J.Cplett.2007.03.028  0.332
2007 Chialvo AA, Cummings PT. Molecular‐Based Modeling of Water and Aqueous Solutions at Supercritical Conditions Advances in Chemical Physics. 109: 115-205. DOI: 10.1002/9780470141687.Ch3  0.302
2006 Dyer PJ, Cummings PT. Hydrogen bonding and induced dipole moments in water: predictions from the Gaussian charge polarizable model and Car-Parrinello molecular dynamics. The Journal of Chemical Physics. 125: 144519. PMID 17042621 DOI: 10.1063/1.2355485  0.777
2006 Striolo A, McCabe C, Cummings PT. Organic-inorganic telechelic molecules: solution properties from simulations. The Journal of Chemical Physics. 125: 104904. PMID 16999547 DOI: 10.1063/1.2348641  0.352
2006 Leng Y, Cummings PT. Shear dynamics of hydration layers. The Journal of Chemical Physics. 125: 104701. PMID 16999542 DOI: 10.1063/1.2335844  0.324
2006 Rivera JL, Starr FW, Paricaud P, Cummings PT. Polarizable contributions to the surface tension of liquid water. The Journal of Chemical Physics. 125: 094712. PMID 16965110 DOI: 10.1063/1.2345063  0.37
2006 Zhao X, Leng Y, Cummings PT. Self-assembly of 1,4-benzenedithiolate/tetrahydrofuran on a gold surface: a Monte Carlo simulation study. Langmuir : the Acs Journal of Surfaces and Colloids. 22: 4116-24. PMID 16618153 DOI: 10.1021/La0532252  0.348
2006 Kalyuzhnyi YV, Cummings PT. Solution of the mean spherical approximation for polydisperse multi-Yukawa hard-sphere fluid mixture using orthogonal polynomial expansions. The Journal of Chemical Physics. 124: 114509. PMID 16555903 DOI: 10.1063/1.2176677  0.325
2006 Leng Y, Cummings PT. Hydration structure of water confined between mica surfaces. The Journal of Chemical Physics. 124: 74711. PMID 16497074 DOI: 10.1063/1.2172589  0.366
2006 Striolo A, Chialvo AA, Cummings PT, Gubbins KE. Simulated water adsorption in chemically heterogeneous carbon nanotubes. The Journal of Chemical Physics. 124: 74710. PMID 16497073 DOI: 10.1063/1.2171349  0.311
2006 Ionescu TC, Qi F, McCabe C, Striolo A, Kieffer J, Cummings PT. Evaluation of force fields for molecular simulation of polyhedral oligomeric silsesquioxanes. The Journal of Physical Chemistry. B. 110: 2502-10. PMID 16471847 DOI: 10.1021/Jp052707J  0.32
2005 Rivera JL, McCabe C, Cummings PT. The oscillatory damped behaviour of incommensurate double-walled carbon nanotubes. Nanotechnology. 16: 186-98. PMID 21727422 DOI: 10.1088/0957-4484/16/2/003  0.323
2005 Naicker PK, Cummings PT, Zhang H, Banfield JF. Characterization of titanium dioxide nanoparticles using molecular dynamics simulations. The Journal of Physical Chemistry. B. 109: 15243-9. PMID 16852930 DOI: 10.1021/Jp050963Q  0.337
2005 Striolo A, McCabe C, Cummings PT. Thermodynamic and transport properties of polyhedral oligomeric sislesquioxanes in poly(dimethylsiloxane). The Journal of Physical Chemistry. B. 109: 14300-7. PMID 16852797 DOI: 10.1021/Jp045388P  0.327
2005 Kalyuzhnyi YV, Kahl G, Cummings PT. Phase coexistence in a polydisperse charged hard-sphere fluid: polymer mean spherical approximation. The Journal of Chemical Physics. 123: 124501. PMID 16392492 DOI: 10.1063/1.2042347  0.323
2005 Koparde VN, Cummings PT. Molecular dynamics simulation of titanium dioxide nanoparticle sintering. The Journal of Physical Chemistry. B. 109: 24280-7. PMID 16375425 DOI: 10.1021/Jp054667P  0.702
2005 Leng Y, Krsti? PS, Wells JC, Cummings PT, Dean DJ. Interaction between benzenedithiolate and gold: classical force field for chemical bonding. The Journal of Chemical Physics. 122: 244721. PMID 16035807 DOI: 10.1063/1.1942468  0.349
2005 Paricaud P, Predota M, Chialvo AA, Cummings PT. From dimer to condensed phases at extreme conditions: accurate predictions of the properties of water by a Gaussian charge polarizable model. The Journal of Chemical Physics. 122: 244511. PMID 16035786 DOI: 10.1063/1.1940033  0.713
2005 Striolo A, Chialvo AA, Gubbins KE, Cummings PT. Water in carbon nanotubes: adsorption isotherms and thermodynamic properties from molecular simulation. The Journal of Chemical Physics. 122: 234712. PMID 16008478 DOI: 10.1063/1.1924697  0.336
2005 Leng Y, Cummings PT. Fluidity of hydration layers nanoconfined between mica surfaces. Physical Review Letters. 94: 026101. PMID 15698197 DOI: 10.1103/Physrevlett.94.026101  0.367
2005 Kalyuzhnyi YV, Kahl G, Cummings PT. Towards the phase diagram of a polydisperse mixture of charged hard spheres Europhysics Letters. 72: 96-102. DOI: 10.1209/Epl/I2005-10202-4  0.318
2005 Striolo A, McCabe C, Cummings PT. Effective interactions between polyhedral oligomeric sislesquioxanes dissolved in normal hexadecane from molecular simulation Macromolecules. 38: 8950-8959. DOI: 10.1021/Ma0512859  0.357
2005 Striolo A, Naicker PK, Chialvo AA, Cummings PT, Gubbins KE. Simulated water adsorption isotherms in hydrophilic and hydrophobic cylindrical nanopores Adsorption. 11: 397-401. DOI: 10.1007/S10450-005-5957-9  0.309
2005 Striolo A, Gubbins KE, Chialvo AA, Cummings PT. The effect of pore connectivity on water adsorption isotherms in non-activated graphitic nanopores Adsorption. 11: 337-341. DOI: 10.1007/S10450-005-5947-Y  0.311
2005 Koparde VN, Cummings PT. Computer simulations of nanoparticle sintering 2005 Nsti Nanotechnology Conference and Trade Show - Nsti Nanotech 2005 Technical Proceedings. 538-541.  0.656
2005 Redmill PS, Striolo A, McCabe C, Cummings PT. Determining the octanol-water partition coefficient for poss systems Aiche Annual Meeting, Conference Proceedings. 13631.  0.756
2005 Dyer PJ, Cummings PT. Solvation study using gaussian charges particles and GCPM water model Aiche Annual Meeting, Conference Proceedings. 10208.  0.745
2005 Koparde VN, Cummings PT. Molecular dynamics simulation of titania nanoparticles Aiche Annual Meeting, Conference Proceedings. 3022-3023.  0.677
2004 Zhang Z, Fenter P, Cheng L, Sturchio NC, Bedzyk MJ, Predota M, Bandura A, Kubicki JD, Lvov SN, Cummings PT, Chialvo AA, Ridley MK, Bénézeth P, Anovitz L, Palmer DA, et al. Ion adsorption at the rutile-water interface: linking molecular and macroscopic properties. Langmuir : the Acs Journal of Surfaces and Colloids. 20: 4954-69. PMID 15984256 DOI: 10.1021/La0353834  0.715
2004 Kalyuzhnyi YV, McCabe C, Whitebay E, Cummings PT. Equation of state and liquid-vapor equilibria of one- and two-Yukawa hard-sphere chain fluids: theory and simulation. The Journal of Chemical Physics. 121: 8128-37. PMID 15485277 DOI: 10.1063/1.1798054  0.315
2004 Kalyuzhnyi YV, Kahl G, Cummings PT. Phase coexistence in polydisperse charged hard-sphere fluids: mean spherical approximation. The Journal of Chemical Physics. 120: 10133-45. PMID 15268036 DOI: 10.1063/1.1737291  0.322
2004 Cummings PT, Jackson G. Foundations of molecular modelling and simulation FOMMS 2003 Keystone resort, Colorado, USA 6-11 july 2003 Molecular Physics. 102: 137. DOI: 10.1080/00268970410001697299  0.352
2004 Striolo A, Gubbins KE, Chialvo AA, Cummings PT. Simulated water adsorption isotherms in carbon nanopores Molecular Physics. 102: 243-251. DOI: 10.1080/00268970410001668507  0.311
2004 Předota M, Zhang Z, Fenter P, Wesolowski DJ, Cummings PT. Electric double layer at the rutile (110) surface. 2. Adsorption of ions from molecular dynamics and X-ray experiments Journal of Physical Chemistry B. 108: 12061-12072. DOI: 10.1021/Jp037199X  0.691
2004 Předota M, Bandura AV, Cummings PT, Kubicki JD, Wesolowski DJ, Chialvo AA, Machesky ML. Electric double layer at the rutile (110) surface. 1. Structure of surfaces and interfacial water from molecular dynamics by use of ab initio potentials Journal of Physical Chemistry B. 108: 12049-12060. DOI: 10.1021/Jp037197C  0.71
2004 Lee MJ, McCabe C, Cummings PT. Square-well chain molecules: A semi-empirical equation of state and Monte Carlo simulation data Fluid Phase Equilibria. 221: 63-72. DOI: 10.1016/J.Fluid.2004.03.008  0.336
2003 Chen KC, Ford RM, Cummings PT. Cell balance equation for chemotactic bacteria with a biphasic tumbling frequency. Journal of Mathematical Biology. 47: 518-46. PMID 14618378 DOI: 10.1007/S00285-003-0216-8  0.545
2003 Rivera JL, McCabe C, Cummings PT. Molecular simulations of liquid-liquid interfacial properties: water-n-alkane and water-methanol-n-alkane systems. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 67: 011603. PMID 12636510 DOI: 10.1103/Physreve.67.011603  0.365
2003 Pàmies JC, McCabe C, Cummings PT, Vega LF. Coexistence densities of methane and propane by canonical molecular dynamics and Gibbs ensemble Monte Carlo simulations Molecular Simulation. 29: 463-470. DOI: 10.1080/0892702031000117270  0.377
2003 Peltz C, Baranyai A, Chialvo AA, Cummings PT. Microstructure of water at the level of three-particle correlation functions as predicted by classical intermolecular models Molecular Simulation. 29: 13-21. DOI: 10.1080/0892702031000065692  0.343
2003 LI H, MCCABE C, CUI ST, CUMMINGS PT, COCHRAN HD. On the development of a general force field for the molecular simulation of perfluoroethers Molecular Physics. 101: 2157-2169. DOI: 10.1080/0026897031000154329  0.336
2003 Cui ST, McCabe C, Cummings PT, Cochran HD. Molecular dynamics study of the nano-rheology ofn-dodecane confined between planar surfaces The Journal of Chemical Physics. 118: 8941-8944. DOI: 10.1063/1.1568084  0.356
2003 Kalyuzhnyi YV, Cummings PT. Yukawa sticky m-point model of associating fluid The Journal of Chemical Physics. 118: 6437-6445. DOI: 10.1063/1.1559032  0.348
2003 Striolo A, Chialvo AA, Cummings PT, Gubbins KE. Water Adsorption in Carbon-Slit Nanopores Langmuir. 19: 8583-8591. DOI: 10.1021/La0347354  0.304
2003 McCabe C, Galindo A, Cummings PT. Anomalies in the Solubility of Alkanes in Near-Critical Water The Journal of Physical Chemistry B. 107: 12307-12314. DOI: 10.1021/Jp0352332  0.37
2003 Leng Y, Keffer DJ, Cummings PT. Structure and Dynamics of a Benzenedithiol Monolayer on a Au(111) Surface Journal of Physical Chemistry B. 107: 11940-11950. DOI: 10.1021/Jp034405S  0.386
2003 McCabe C, Bedrov D, Borodin O, Smith GD, Cummings PT. Transport Properties of Perfluoroalkanes Using Molecular Dynamics Simulation: Comparison of United- and Explicit-Atom Models Industrial and Engineering Chemistry Research. 42: 6956-6961. DOI: 10.1021/Ie034012F  0.328
2003 Krstić PS, Dean DJ, Zhang XG, Keffer D, Leng YS, Cummings PT, Wells JC. Computational chemistry for molecular electronics Computational Materials Science. 28: 321-341. DOI: 10.1016/S0927-0256(03)00116-2  0.357
2003 Chialvo AA, Cummings PT, Simonson JM. H3O+/CI− ion pairing in hydrothermal solutions by simulation and electrical conductance. A review Journal of Molecular Liquids. 235-248. DOI: 10.1016/S0167-7322(02)00143-5  0.301
2003 Jin M, Ford RM, Cummings PT. A numerical method for solving a scalar advection-dominated transport equation with concentration-dependent sources Computers and Chemical Engineering. 27: 1405-1419. DOI: 10.1016/S0098-1354(03)00008-5  0.508
2002 Bair S, McCabe C, Cummings PT. Comparison of nonequilibrium molecular dynamics with experimental measurements in the nonlinear shear-thinning regime. Physical Review Letters. 88: 058302. PMID 11863785 DOI: 10.1103/Physrevlett.88.058302  0.325
2002 PŘEDOTA M, CUMMINGS PT, CHIALVO AA. Pair approximation for polarization interaction and adiabatic nuclear and electronic sampling method for fluids with dipole polarizability Molecular Physics. 100: 2703-2717. DOI: 10.1080/00268970210137284  0.69
2002 Kalyuzhnyi YV, McCabe C, Cummings PT, Stell G. Structural and thermodynamic properties of a multicomponent freely jointed hard sphere multi-Yukawa chain fluid Molecular Physics. 100: 2499-2517. DOI: 10.1080/00268970210130245  0.352
2002 PŘEDOTA M, NEZBEDA I, CUMMINGS PT. Hydrophobic hydration at the level of primitive models. II: Large solutes and water restructuring Molecular Physics. 100: 2189-2200. DOI: 10.1080/00268970210124800  0.755
2002 LI H, MCCABEL C, CUI ST, CUMMINGS PT, COCHRAN HD. Development of a force field for molecular simulation of the phase equilibria of perfluoromethylpropyl ether Molecular Physics. 100: 265-272. DOI: 10.1080/00268970110086336  0.376
2002 McCabe C, Manke CW, Cummings PT. Predicting the Newtonian viscosity of complex fluids from high strain rate molecular simulations Journal of Chemical Physics. 116: 3339-3342. DOI: 10.1063/1.1446045  0.311
2002 Bair S, McCabe C, Cummings PT. Calculation of viscous EHL traction for squalane using molecular simulation and rheometry Tribology Letters. 13: 251-254. DOI: 10.1023/A:1021011225316  0.359
2002 Yezdimer EM, Cummings PT, Chialvo AA. Determination of the Gibbs Free Energy of Gas Replacement in SI Clathrate Hydrates by Molecular Simulation The Journal of Physical Chemistry A. 106: 7982-7987. DOI: 10.1021/Jp020795R  0.327
2002 Kettler M, Nezbeda I, Chialvo AA, Cummings PT. Effect of the Range of Interactions on the Properties of Fluids. Phase Equilibria in Pure Carbon Dioxide, Acetone, Methanol, and Water The Journal of Physical Chemistry B. 106: 7537-7546. DOI: 10.1021/Jp020139R  0.586
2002 Chialvo AA, Houssa M, Cummings PT. Molecular Dynamics Study of the Structure and Thermophysical Properties of Model sI Clathrate Hydrates The Journal of Physical Chemistry B. 106: 442-451. DOI: 10.1021/Jp012735B  0.393
2002 Furukawa S, McCabe C, Nitta T, Cummings PT. Non-equilibrium molecular dynamics simulation study of the behavior of hydrocarbon-isomers in silicalite Fluid Phase Equilibria. 194: 309-317. DOI: 10.1016/S0378-3812(01)00670-7  0.353
2002 McCabe C, Kalyuzhnyi YV, Cummings PT. Thermodynamic properties of freely-jointed hard-sphere multi-Yukawa chain fluids: theory and simulation Fluid Phase Equilibria. 194: 185-196. DOI: 10.1016/S0378-3812(01)00661-6  0.341
2002 Rivera J, Predota M, Chialvo A, Cummings P. Vapor–liquid equilibrium simulations of the SCPDP model of water Chemical Physics Letters. 357: 189-194. DOI: 10.1016/S0009-2614(02)00527-4  0.718
2001 Lee SH, Cummings PT. Molecular Dynamics Simulation of Limiting Conductance for Na2+, Cl2−, Na°, and Cl° in Supercritical Water Molecular Simulation. 27: 199-213. DOI: 10.1080/08927020108027947  0.352
2001 KIM S, CUMMINGS PT. Adsorption isotherm of a Lennard-Jones nitrogen in a carbon slitlike pore Molecular Physics. 99: 1099-1105. DOI: 10.1080/00268970110041227  0.333
2001 PŘEDOTA M, CUMMINGS PT, CHIALVO AA. Pair approximation for polarization interaction: efficient method for Monte Carlo simulations of polarizable fluids Molecular Physics. 99: 349-354. DOI: 10.1080/00268970010012338  0.705
2001 Kalyuzhnyi YV, Cummings PT. Multicomponent mixture of charged hard-sphere chain molecules in the polymer mean-spherical approximation The Journal of Chemical Physics. 115: 540-551. DOI: 10.1063/1.1376426  0.341
2001 Chialvo AA, Simonson JM, Cummings PT, Kusalik PG. On the determination of orientational configurational temperature from computer simulation Journal of Chemical Physics. 114: 6514-6517. DOI: 10.1063/1.1357792  0.332
2001 Cui ST, Cummings PT, Cochran HD. Effect of branches on the structure of narrowly confined alkane fluids: n-hexadecane and 2,6,11,15-tetramethylhexadecane The Journal of Chemical Physics. 114: 6464-6471. DOI: 10.1063/1.1357200  0.331
2001 Chialvo AA, Kusalik PG, Cummings PT, Simonson JM. Solvation in high-temperature electrolyte solutions. III. Integral equation calculations and interpretation of experimental data Journal of Chemical Physics. 114: 3575-3585. DOI: 10.1063/1.1343875  0.326
2001 McCabe C, Cui S, Cummings PT, Gordon PA, Saeger RB. Examining the rheology of 9-octylheptadecane to giga-pascal pressures The Journal of Chemical Physics. 114: 1887-1891. DOI: 10.1063/1.1334676  0.367
2001 Salaniwal S, Cui ST, Cochran HD, Cummings PT. Molecular Simulation of a Dichain Surfactant/Water/Carbon Dioxide System. 2. Self-Assembly and Aggregation Dynamics Langmuir. 17: 1784-1792. DOI: 10.1021/La0005558  0.312
2001 Salaniwal S, Cui ST, Cochran HD, Cummings PT. Molecular Simulation of a Dichain Surfactant/Water/Carbon Dioxide System. 1. Structural Properties of Aggregates Langmuir. 17: 1773-1783. DOI: 10.1021/La000554F  0.395
2001 Yezdimer EM, Chialvo AA, Cummings PT. Examination of Chain Length Effects on the Solubility of Alkanes in Near-Critical and Supercritical Aqueous Solutions The Journal of Physical Chemistry B. 105: 841-847. DOI: 10.1021/Jp002610R  0.356
2001 McCabe C, Bedrov D, Smith GD, Cummings PT. Discriminating between Correlations of Experimental Viscosity Data for Perfluorobutane Using Molecular Simulation Industrial & Engineering Chemistry Research. 40: 473-475. DOI: 10.1021/Ie000659D  0.356
2001 Cui ST, Cummings PT, Cochran HD. Structural transition and solid-like behavior of alkane films confined in nano-spacing Fluid Phase Equilibria. 183: 381-387. DOI: 10.1016/S0378-3812(01)00450-2  0.34
2001 McCabe C, Cui S, Cummings PT. Characterizing the viscosity–temperature dependence of lubricants by molecular simulation Fluid Phase Equilibria. 183: 363-370. DOI: 10.1016/S0378-3812(01)00448-4  0.331
2001 Předota M, Chialvo AA, Cummings PT. On the determination of the vapor–liquid envelope for polarizable models by Monte Carlo simulation Fluid Phase Equilibria. 183: 295-300. DOI: 10.1016/S0378-3812(01)00441-1  0.368
2001 Yezdimer EM, Chialvo AA, Cummings PT. Chain length effects on aqueous alkane solubility near the solvent’s critical point Fluid Phase Equilibria. 183: 289-294. DOI: 10.1016/S0378-3812(01)00440-X  0.333
2000 Chialvo AA, Kusalik PG, Cummings PT, Simonson JM, Mesmer RE. Molecular approach to high-temperature solvation. Formal, integral equation and experimental results Journal of Physics Condensed Matter. 12: 3585-3593. DOI: 10.1088/0953-8984/12/15/307  0.31
2000 Lee SH, Cummings PT. Molecular dynamics simulation of limiting conductances for LiCl, NaBr, and CsBr in supercritical water The Journal of Chemical Physics. 112: 864-869. DOI: 10.1063/1.480613  0.364
2000 Baranyai A, Cummings PT. Liquid–vapor coexistence by molecular dynamics simulation The Journal of Chemical Physics. 112: 3516-3522. DOI: 10.1063/1.480506  0.366
2000 Moore JD, Cui ST, Cochran HD, Cummings PT. Rheology of lubricant basestocks: A molecular dynamics study of C30 isomers The Journal of Chemical Physics. 113: 8833-8840. DOI: 10.1063/1.1318768  0.359
2000 Chialvo AA, Cummings PT, Simonson JM. H3O+/Cl− ion-pair formation in high-temperature aqueous solutions The Journal of Chemical Physics. 113: 8093-8100. DOI: 10.1063/1.1314869  0.352
2000 Chialvo AA, Kusalik PG, Kalyuzhnyi YV, Cummings PT. Journal of Statistical Physics. 100: 167-199. DOI: 10.1023/A:1018639728431  0.316
2000 Salaniwal S, Cui S, Cochran HD, Cummings PT. Molecular Dynamics Simulation of Reverse Micelles in Supercritical Carbon Dioxide Industrial & Engineering Chemistry Research. 39: 4543-4554. DOI: 10.1021/Ie000144M  0.365
2000 Moore J, Cui S, Cochran H, Cummings P. A molecular dynamics study of a short-chain polyethylene melt. Journal of Non-Newtonian Fluid Mechanics. 93: 101-116. DOI: 10.1016/S0377-0257(00)00104-X  0.301
2000 Moore J, Cui S, Cochran H, Cummings P. A molecular dynamics study of a short-chain polyethylene melt. Journal of Non-Newtonian Fluid Mechanics. 93: 83-99. DOI: 10.1016/S0377-0257(00)00103-8  0.319
2000 Chialvo A, Cummings P, Simonson J, Mesme R. Solvation in high-temperature aqueous electrolyte solutions Journal of Molecular Liquids. 87: 233-242. DOI: 10.1016/S0167-7322(00)00123-9  0.301
1999 NEZBEDA I, CUMMINGS PT. Fifth Liblice Conference on the Statistical Mechanics of Liquids (June 7–12, 1998, [Zcirc]elezná Ruda, Šumava National Park, Czech Republic) Molecular Physics. 96: 1583-1585. DOI: 10.1080/00268979909483100  0.505
1999 YEZDIMER EM, CUMMINGS PT. Calculation of the vapour-liquid coexistence curve for a fluctuating point charge water model Molecular Physics. 97: 993-996. DOI: 10.1080/00268979909482901  0.347
1999 Driesner T, Cummings PT. Molecular simulation of the temperature- and density-dependence of ionic hydration in aqueous SrCl2 solutions using rigid and flexible water models The Journal of Chemical Physics. 111: 5141-5149. DOI: 10.1063/1.479769  0.408
1999 Chialvo AA, Cummings PT, Simonson JM, Mesmer RE. Solvation in high-temperature electrolyte solutions. II. Some formal results The Journal of Chemical Physics. 110: 1075-1086. DOI: 10.1063/1.478151  0.316
1999 Chialvo AA, Cummings PT, Simonson JM, Mesmer RE. Solvation in high-temperature electrolyte solutions. I. Hydration shell behavior from molecular simulation The Journal of Chemical Physics. 110: 1064-1074. DOI: 10.1063/1.478150  0.37
1999 Baranyai A, Cummings PT. Steady state simulation of planar elongation flow by nonequilibrium molecular dynamics The Journal of Chemical Physics. 110: 42-45. DOI: 10.1063/1.478082  0.325
1999 Salaniwal S, Cui ST, Cummings PT, Cochran HD. Self-Assembly of Reverse Micelles in Water/Surfactant/Carbon Dioxide Systems by Molecular Simulation Langmuir. 15: 5188-5192. DOI: 10.1021/La9904556  0.337
1999 Borzsák I, Cummings PT. Molecular dynamics simulation of ice XII Chemical Physics Letters. 300: 359-363. DOI: 10.1016/S0009-2614(98)01387-6  0.364
1999 Chen KC, Ford RM, Cummings PT. Spatial effect of tumbling frequencies for motile bacteria on cell balance equations Chemical Engineering Science. 54: 593-617. DOI: 10.1016/S0009-2509(98)00268-1  0.536
1998 Chen KC, Ford RM, Cummings PT. Mathematical models for motile bacterial transport in cylindrical tubes. Journal of Theoretical Biology. 195: 481-504. PMID 9837704 DOI: 10.1006/Jtbi.1998.0808  0.549
1998 Chen KC, Ford RM, Cummings PT. The global turning probability density function for motile bacteria and its applications. Journal of Theoretical Biology. 195: 139-55. PMID 9822560 DOI: 10.1006/Jtbi.1998.0768  0.528
1998 Chen KC, Cummings PT, Ford RM. Perturbation Expansion of Alt's Cell Balance Equations Reduces to Segel's One-Dimensional Equations for Shallow Chemoattractant Gradients Siam Journal On Applied Mathematics. 59: 35-57. DOI: 10.1137/S0036139996301283  0.533
1998 Lee SH, Cummings PT. The Rheology ofn-Decane and 4-Propyl Heptane by Non Equilibrium Molecular Dynamics Simulations Molecular Simulation. 21: 27-39. DOI: 10.1080/08927029808022048  0.374
1998 Herrera JN, Blum L, Cummings PT. Thermodynamic properties of an asymmetric fluid mixture with adhesive hard sphere Yukawa interaction in the mean spherical approximation Molecular Physics. 93: 73-78. DOI: 10.1080/002689798169447  0.322
1998 Cui ST, Cummings PT, Cochran HD. The calculation of viscosity of liquid n-decane and n-hexadecane by the Green-Kubo method Molecular Physics. 93: 117-122. DOI: 10.1080/00268979809482195  0.325
1998 Cui ST, Cummings PT, Cochran HD, Moore JD, Gupta SA. International Journal of Thermophysics. 19: 449-459. DOI: 10.1023/A:1022565427881  0.331
1998 Chialvo AA, Cummings PT, Simonson JM, Mesmer RE, Cochran HD. Interplay between Molecular Simulation and Neutron Scattering in Developing New Insights into the Structure of Water† Industrial & Engineering Chemistry Research. 37: 3021-3025. DOI: 10.1021/Ie970903+  0.328
1998 Cochran H, Cummings P, Cui S, Gupta S, Bhupathiraju R, LoCascio P. Classical molecular simulations of complex, industrially-important systems on the intel paragon Computers & Mathematics With Applications. 35: 73-84. DOI: 10.1016/S0898-1221(98)00034-0  0.371
1998 Borzsák I, Cummings PT. Effect of oscillatory shear on the fluid–solid phase transition of supercooled water Fluid Phase Equilibria. 150: 141-149. DOI: 10.1016/S0378-3812(98)00285-4  0.31
1998 Gupta SA, Cochran HD, Cummings PT. Nanorheology of liquid alkanes Fluid Phase Equilibria. 150: 125-131. DOI: 10.1016/S0378-3812(98)00283-0  0.333
1998 Chialvo AA, Cummings PT, Simonson JM, Mesmer RE. Thermodynamics and kinetics of ion speciation in supercritical aqueous solutions: A molecular based study Fluid Phase Equilibria. 150: 107-115. DOI: 10.1016/S0378-3812(98)00281-7  0.318
1998 Chialvo AA, Cummings PT. Simple transferable intermolecular potential for the molecular simulation of water over wide ranges of state conditions Fluid Phase Equilibria. 150: 73-81. DOI: 10.1016/S0378-3812(98)00277-5  0.347
1998 Kofke DA, Cummings PT. Precision and accuracy of staged free-energy perturbation methods for computing the chemical potential by molecular simulation Fluid Phase Equilibria. 150: 41-49. DOI: 10.1016/S0378-3812(98)00274-X  0.317
1998 Cui S, Siepmann J, Cochran H, Cummings P. Intermolecular potentials and vapor–liquid phase equilibria of perfluorinated alkanes Fluid Phase Equilibria. 146: 51-61. DOI: 10.1016/S0378-3812(98)00216-7  0.337
1998 Cummings PT. Molecular simulation of complex systems using massively parallel supercomputers Fluid Phase Equilibria. 144: 331-342. DOI: 10.1016/S0378-3812(97)00277-X  0.337
1998 Sarman SS, Evans DJ, Cummings PT. Recent developments in non-Newtonian molecular dynamics Physics Reports. 305: 1-92. DOI: 10.1016/S0370-1573(98)00018-0  0.357
1998 Lee S, Cummings P, Simonson J, Mesmer R. Molecular dynamics simulation of the limiting conductance of NaCl in supercritical water Chemical Physics Letters. 293: 289-294. DOI: 10.1016/S0009-2614(98)00766-0  0.368
1997 Duffy KJ, Ford RM, Cummings PT. Residence time calculation for chemotactic bacteria within porous media. Biophysical Journal. 73: 2930-6. PMID 9414207 DOI: 10.1016/S0006-3495(97)78321-8  0.573
1997 Borzsák I, Cummings PT. Electrofreezing of water in molecular dynamics simulation accelerated by oscillatory shear Physical Review E. 56: R6279-R6282. DOI: 10.1103/Physreve.56.R6279  0.364
1997 BARANYAI A, CUMMINGS PT. Directional dependence of the random kinetic energy in planar Couette flow Molecular Physics. 90: 35-41. DOI: 10.1080/002689797172831  0.337
1997 KOFKE DA, CUMMINGS PT. Quantitative comparison and optimization of methods for evaluating the chemical potential by molecular simulation Molecular Physics. 92: 973-996. DOI: 10.1080/002689797169600  0.363
1997 Gupta SA, Cochran HD, Cummings PT. Shear behavior of squalane and tetracosane under extreme confinement. III. Effect of confinement on viscosity The Journal of Chemical Physics. 107: 10335-10343. DOI: 10.1063/1.474173  0.367
1997 Gupta SA, Cochran HD, Cummings PT. Shear behavior of squalane and tetracosane under extreme confinement. II. Confined film structure The Journal of Chemical Physics. 107: 10327-10334. DOI: 10.1063/1.474172  0.339
1997 Gupta SA, Cochran HD, Cummings PT. Shear behavior of squalane and tetracosane under extreme confinement. I. Model, simulation method, and interfacial slip The Journal of Chemical Physics. 107: 10316-10326. DOI: 10.1063/1.474171  0.363
1997 Stevens MJ, Mondello M, Grest GS, Cui ST, Cochran HD, Cummings PT. Comparison of shear flow of hexadecane in a confined geometry and in bulk The Journal of Chemical Physics. 106: 7303-7314. DOI: 10.1063/1.473692  0.356
1997 Slusher JT, Cummings PT. Molecular Simulation Study of Tetraalkylammonium Halides. 1. Solvation Structure and Hydrogen Bonding in Aqueous Solutions The Journal of Physical Chemistry B. 101: 3818-3826. DOI: 10.1021/Jp963304+  0.338
1997 Cui S, Cummings P, Cochran H. Configurational bias Gibbs ensemble Monte Carlo simulation of vapor-liquid equilibria of linear and short-branched alkanes Fluid Phase Equilibria. 141: 45-61. DOI: 10.1016/S0378-3812(97)00209-4  0.394
1997 Chialvo AA, Cummings PT, Simonson JM, Mesmer RE. Molecular simulation study of speciation in supercritical aqueous NaCl solutions Journal of Molecular Liquids. 361-372. DOI: 10.1016/S0167-7322(97)00079-2  0.371
1997 Moore JD, Cui ST, Cummings PT, Cochran HD. Lubricant characterization by molecular simulation Aiche Journal. 43: 3260-3263. DOI: 10.1002/Aic.690431215  0.331
1996 Brosilow BJ, Ford RM, Sarman S, Cummings PT. Numerical Solution of Transport Equations for Bacterial Chemotaxis: Effect of Discretization of Directional Motion Siam Journal On Applied Mathematics. 56: 1639-1663. DOI: 10.1137/S0036139995282025  0.536
1996 Cummings PT, Chialvo AA. Molecular simulation of supercritical water and aqueous solutions Journal of Physics: Condensed Matter. 8: 9281-9287. DOI: 10.1088/0953-8984/8/47/016  0.396
1996 Baranyai A, Cummings PT. On the Molecular Dynamics Algorithm for Gibbs Ensemble Simulation Molecular Simulation. 17: 21-25. DOI: 10.1080/08927029608024091  0.353
1996 Lee SH, Cummings PT. The Rheology ofn-Butane andi-Butane by Non-Equilibrium Molecular Dynamics Simulations Molecular Simulation. 16: 229-247. DOI: 10.1080/08927029608024077  0.355
1996 Slusher JT, Cummings PT. Non-Iterative Constraint Dynamics Using Velocity-Explicit Verlet Methods Molecular Simulation. 18: 213-224. DOI: 10.1080/08927029608022360  0.352
1996 CUI ST, CUMMINGS PT, COCHRAN HD. The calculation of the viscosity from the autocorrelation function using molecular and atomic stress tensors Molecular Physics. 88: 1657-1664. DOI: 10.1080/00268979650025696  0.308
1996 BHUPATHIRAJU R, CUMMINGS PT, COCHRAN HD. An efficient parallel algorithm for non-equilibrium molecular dynamics simulations of very large systems in planar Couette flow Molecular Physics. 88: 1665-1670. DOI: 10.1080/00268979609484543  0.327
1996 Kalyuzhnyi Y, Cummings P. Phase diagram for the Lennard-Jones fluid modelled by the hard-core Yukawa fluid Molecular Physics. 87: 1459-1462. DOI: 10.1080/00268979600100981  0.315
1996 Kalyuzhnyi Y, Cummings P. Phase diagram for the dimerizing hard-core Yukawa fluid Molecular Physics. 87: 249-255. DOI: 10.1080/00268979600100151  0.324
1996 Chialvo AA, Cummings PT, Simonson JM, Mesmer RE. Temperature and density effects on the high temperature ionic speciation in dilute Na+/Cl− aqueous solutions The Journal of Chemical Physics. 105: 9248-9257. DOI: 10.1063/1.472756  0.341
1996 Chialvo AA, Cummings PT. Engineering a simple polarizable model for the molecular simulation of water applicable over wide ranges of state conditions The Journal of Chemical Physics. 105: 8274-8281. DOI: 10.1063/1.472718  0.395
1996 Baranyai A, Cummings PT. Towards the atomistic simulation of phase coexistence in nonequilibrium systems The Journal of Chemical Physics. 105: 2378-2390. DOI: 10.1063/1.472105  0.35
1996 Lee SH, Cummings PT. Shear viscosity of model mixtures by nonequilibrium molecular dynamics. II. Effect of dipolar interactions The Journal of Chemical Physics. 105: 2044-2055. DOI: 10.1063/1.472073  0.334
1996 Kalyuzhnyi YV, Cummings PT. Solution of the Chandler–Silbey–Ladanyi equation for the multicomponent hard‐sphere site–site molecular fluid: Percus–Yevick approximation The Journal of Chemical Physics. 105: 2011-2019. DOI: 10.1063/1.472069  0.352
1996 Cui ST, Gupta SA, Cummings PT, Cochran HD. Molecular dynamics simulations of the rheology of normal decane, hexadecane, and tetracosane The Journal of Chemical Physics. 105: 1214-1220. DOI: 10.1063/1.471971  0.322
1996 Baranyai A, Cummings PT. Extremum Behavior of Fluctuation Amplitudes Close to Equilibrium The Journal of Physical Chemistry. 100: 9149-9151. DOI: 10.1021/Jp953724J  0.302
1996 Chialvo AA, Cummings PT. Microstructure of Ambient and Supercritical Water. Direct Comparison between Simulation and Neutron Scattering Experiments The Journal of Physical Chemistry. 100: 1309-1316. DOI: 10.1021/Jp951445Q  0.36
1996 Cummings PT. Molecular dynamics simulation of realistic systems Fluid Phase Equilibria. 116: 237-248. DOI: 10.1016/0378-3812(95)02892-7  0.364
1996 Chialvo AA, Cummings PT, Cochran HD. Solvation structure, hydrogen bonding, and ion pairing in dilute supercritical aqueous NaCl mixtures International Journal of Thermophysics. 17: 147-156. DOI: 10.1007/Bf01448217  0.335
1996 Chialvo AA, Kalyuzhnyi YV, Cummings PT. Solvation thermodynamics of gas solubility at sub- and near-critical conditions Aiche Journal. 42: 571-584. DOI: 10.1002/Aic.690420226  0.316
1995 Duffy KJ, Cummings PT, Ford RM. Random walk calculations for bacterial migration in porous media. Biophysical Journal. 68: 800-6. PMID 7756547 DOI: 10.1016/S0006-3495(95)80256-0  0.573
1995 Frymier PD, Ford RM, Berg HC, Cummings PT. Three-dimensional tracking of motile bacteria near a solid planar surface. Proceedings of the National Academy of Sciences of the United States of America. 92: 6195-9. PMID 7597100 DOI: 10.1073/Pnas.92.13.6195  0.733
1995 Chialvo AA, Cummings PT, Cochran HD, Simonson JM, Mesmer RE. Na+–Cl−ion pair association in supercritical water The Journal of Chemical Physics. 103: 9379-9387. DOI: 10.1063/1.470707  0.39
1994 Lee SH, Cummings PT. Effect of three‐body forces on the shear viscosity of liquid argon The Journal of Chemical Physics. 101: 6206-6209. DOI: 10.1063/1.468402  0.338
1994 Chialvo AA, Cummings PT. Hydrogen bonding in supercritical water The Journal of Chemical Physics. 101: 4466-4469. DOI: 10.1063/1.467432  0.324
1994 Slusher JT, Decker KJ, Liu H, Vega CA, Cummings PT, O'Connell JP. Vapor-Liquid Equilibria and Salt Apparent Molar Volumes of the Water + 2-Propanol + Tetrabutylammonium Bromide System Journal of Chemical & Engineering Data. 39: 506-509. DOI: 10.1021/Je00015A024  0.3
1994 Cummings P, Chialvo A, Cochran H. Molecular simulation study of solvation structure in supercritical aqueous solutions Chemical Engineering Science. 49: 2735-2748. DOI: 10.1016/0009-2509(94)E0094-7  0.379
1994 Sarman SS, Cummings PT, Evans DJ. Nonequilibrium molecular dynamics of liquid crystals International Journal of Thermophysics. 15: 1125-1134. DOI: 10.1007/Bf01458821  0.31
1994 Fetsko SW, Cummings PT. Simulation of bead-and-spring chain models for semidilute polymer solutions in shear flow International Journal of Thermophysics. 15: 1085-1091. DOI: 10.1007/Bf01458817  0.353
1994 Chialvo AA, Cummings PT. Solute-induced effects on the structure and thermodynamics of infinitely dilute mixtures Aiche Journal. 40: 1558-1573. DOI: 10.1002/Aic.690400914  0.314
1994 Frymier PD, Ford RM, Cummings PT. Analysis of bacterial migration: I. Numerical solution of balance equation Aiche Journal. 40: 704-715. DOI: 10.1002/Aic.690400413  0.737
1993 Chialvo AA, Cummings PT. Structure of Mixed Solvent Electrolyte Solutions via Gibbs Ensemble Monte Carlo Simulation Molecular Simulation. 11: 163-175. DOI: 10.1080/08927029308022506  0.364
1993 Lee SH, Cummings PT. Shear viscosity of model mixtures by nonequilibrium molecular dynamics. I. Argon–krypton mixtures The Journal of Chemical Physics. 99: 3919-3925. DOI: 10.1063/1.466137  0.376
1993 Strauch HJ, Cummings PT. Gibbs ensemble simulation of mixed solvent electrolyte solutions Fluid Phase Equilibria. 86: 147-172. DOI: 10.1016/0378-3812(93)87173-X  0.346
1993 Rudisill J, Cummings P. Non-equilibrium molecular dynamics approach to the rheology of model polymer fluids Fluid Phase Equilibria. 88: 99-113. DOI: 10.1016/0378-3812(93)87104-9  0.348
1993 Strauch HJ, Cummings PT. Computer simulation of vapor-liquid equilibrium in mixed solvent electrolyte solutions Fluid Phase Equilibria. 83: 213-222. DOI: 10.1016/0378-3812(93)87024-U  0.358
1993 Frymier PD, Ford RM, Cummings PT. Cellular Dynamics simulations of bacterial chemotaxis Chemical Engineering Science. 48: 687-699. DOI: 10.1016/0009-2509(93)80136-E  0.747
1992 Ford RM, Cummings PT. On the Relationship Between Cell Balance Equations for Chemotactic Cell Populations Siam Journal On Applied Mathematics. 52: 1426-1441. DOI: 10.1137/0152082  0.514
1992 Cummings PT, Evans DJ. Nonequilibrium molecular dynamics approaches to transport properties and non-Newtonian fluid rheology Industrial & Engineering Chemistry Research. 31: 1237-1252. DOI: 10.1021/Ie00005A001  0.32
1992 Cochran H, Cummings P, Karaborni S. Solvation in supercritical water Fluid Phase Equilibria. 71: 1-16. DOI: 10.1016/0378-3812(92)85001-O  0.355
1992 Rudisill J, Cummings P. Brownian dynamics simulation of model polymer fluids in shear flow. I. Dumbbell models Journal of Non-Newtonian Fluid Mechanics. 41: 275-288. DOI: 10.1016/0377-0257(92)87002-S  0.339
1991 Cummings PT, Cochran HD, Simonson JM, Mesmer RE, Karaborni S. Simulation of supercritical water and of supercritical aqueous solutions The Journal of Chemical Physics. 94: 5606-5621. DOI: 10.1063/1.460497  0.367
1991 Sarman S, Evans DJ, Cummings PT. Comment on: Nonequilibrium molecular dynamics calculation of self‐diffusion in a non‐Newtonian fluid subject to a Couette strain field The Journal of Chemical Physics. 95: 8675-8676. DOI: 10.1063/1.459886  0.327
1990 de Pablo JJ, Prausnitz JM, Strauch HJ, Cummings PT. Molecular simulation of water along the liquid–vapor coexistence curve from 25 °C to the critical point The Journal of Chemical Physics. 93: 7355-7359. DOI: 10.1063/1.459409  0.383
1989 Strauch HJ, Cummings PT. Computer Simulation of the Dielectric Properties of Liquid Water Molecular Simulation. 2: 89-104. DOI: 10.1080/08927028908032785  0.381
1989 Rudisill E, Cummings P. Gibbs ensemble simulation of phase equilibrium in the hard core two-Yukawa fluid model for the Lennard-Jones fluid Molecular Physics. 68: 629-635. DOI: 10.1080/00268978900102411  0.309
1989 Wang B, Cummings P. Non-equilibrium molecular dynamics calculation of the transport properties of carbon dioxide Fluid Phase Equilibria. 53: 191-198. DOI: 10.1016/0378-3812(89)80086-X  0.31
1989 Wang BY, Cummings PT. Nonequilibrium molecular dynamics calculation of the shear viscosity of carbon dioxide International Journal of Thermophysics. 10: 929-940. DOI: 10.1007/Bf00503162  0.323
1988 Cummings PT. Shear viscosity of liquid rubidium at the triple point Journal of Physics F: Metal Physics. 18: 1439-1447. DOI: 10.1088/0305-4608/18/7/013  0.329
1988 Cummings PT, Varner TL. Nonequilibrium molecular dynamics calculation of the shear viscosity of liquid water The Journal of Chemical Physics. 89: 6391-6398. DOI: 10.1063/1.455407  0.394
1988 Perry R, Massie J, Cummings P. An analytic model for aqueous electrolyte solutions based on fluctuation solution theory Fluid Phase Equilibria. 39: 227-266. DOI: 10.1016/0378-3812(88)85007-6  0.318
1986 Cummings PT, Blum L. Dielectric constant of dipolar hard sphere mixtures The Journal of Chemical Physics. 85: 6658-6667. DOI: 10.1063/1.451447  0.349
1986 Cummings PT, Blum L. Analytic solution of the molecular Ornstein–Zernike equation for nonspherical molecules. Spheres with anisotropic surface adhesion The Journal of Chemical Physics. 84: 1833-1842. DOI: 10.1063/1.450430  0.344
1986 Simmsons A, Cummings P. Non-equilibrium molecular dynamics simulation of dense fluid methane Chemical Physics Letters. 129: 92-98. DOI: 10.1016/0009-2614(86)80176-2  0.371
1985 Lee SH, Rasaiah JC, Cummings PT. A model for association in electrolytes. Analytic solution of the hypernetted‐chain/mean spherical approximation The Journal of Chemical Physics. 83: 317-325. DOI: 10.1063/1.449772  0.336
1985 Cummings PT, Monson PA. Solution of the Ornstein–Zernike equation in the vicinity of the critical point of a simple fluid The Journal of Chemical Physics. 82: 4303-4311. DOI: 10.1063/1.448820  0.309
1985 Monson PA, Cummings PT. Solution of the Percus-Yevick equation in the coexistence region of a simple fluid International Journal of Thermophysics. 6: 573-584. DOI: 10.1007/Bf00500330  0.31
1984 Cummings P. Analytic studies of the hard dumbell fluid Molecular Physics. 53: 849-863. DOI: 10.1080/00268978400102691  0.309
1983 Cummings P, Ram J, Gray C, Wertheim M. Evaluation of the CPY and PYX approximations for short ranged anisotropic potentials Molecular Physics. 50: 1133-1140. DOI: 10.1080/00268978300102911  0.318
1983 Cummings P, Ram J, Barker R, Gray C, Wertheim M. Evaluation of the SSC/LHNC, SSCF and PY approximations for short ranged, anisotropic potentials Molecular Physics. 48: 1177-1207. DOI: 10.1080/00268978300100851  0.348
1982 Cummings PT, Egelstaff PA. Influence of the Friedel oscillations on the structure on liquid rubidium Journal of Physics F: Metal Physics. 12: 233-244. DOI: 10.1088/0305-4608/12/2/003  0.326
1982 Ram J, Barker R, Cummings PT, Egelstaff PA. A Test of Computer Simulation of Low Density Gases Physics and Chemistry of Liquids. 11: 315-325. DOI: 10.1080/00319108208080753  0.303
1982 Morriss G, Cummings P. The dielectric constant of polar hard dumb-bells Molecular Physics. 45: 1099-1112. DOI: 10.1080/00268978200100841  0.323
1981 Cummings P, Nezbeda I, Smith WR, Morriss G. Monte Carlo simulation results for the full pair correlation function of the hard dumbell fluid Molecular Physics. 43: 1471-1475. DOI: 10.1080/00268978100102241  0.565
1981 Cummings P, Stell G. Mean spherical approximation for a model liquid metal potential Molecular Physics. 43: 1267-1291. DOI: 10.1080/00268978100102051  0.309
1981 Cummings PT, Wright CC. Solution of the Ornstein-Zernike equation for a soft-core Yukawa fluid. III. A restricted model for electrolytes and fused salts Journal of Statistical Physics. 24: 405-412. DOI: 10.1007/Bf01012812  0.322
Low-probability matches (unlikely to be authored by this person)
1993 Chialvo AA, Cummings PT, Evans DJ. Relationship between McQuarrie and Helfand equations for the determination of shear viscosity from equilibrium molecular dynamics. Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 47: 1702-1711. PMID 9960195 DOI: 10.1103/Physreve.47.1702  0.3
1979 Cummings PT. Exact solution of the mean spherical approximation for a model liquid metal potential. I. Method of solution Journal of Physics F: Metal Physics. 9: 1477-1488. DOI: 10.1088/0305-4608/9/8/002  0.299
1999 HERRERA JN, CUMMINGS PT, RUÍZ-ESTRADA H. Static structure factor for simple liquid metals Molecular Physics. 96: 835-847. DOI: 10.1080/00268979909483021  0.298
2001 Lee SH, Cummings PT. Shear Viscosity of Model Mixtures by Nonequilibrium Molecular Dynamics III. Effect of Quadrupolar Interactions Molecular Simulation. 27: 115-137. DOI: 10.1080/08927020108023127  0.296
2012 Kalyuzhnyi YV, Hlushak SP, Cummings PT. An improved thermodynamic perturbation theory for square-well m-point model of the patchy colloids. The Journal of Chemical Physics. 137: 244910. PMID 23277959 DOI: 10.1063/1.4773012  0.296
2019 Zhang Y, Cummings PT. Effects of Solvent Concentration on the Performance of Ionic-Liquid/Carbon Supercapacitors. Acs Applied Materials & Interfaces. PMID 31608619 DOI: 10.1021/Acsami.9B09939  0.295
1976 Cummings P, Perram J, Smith E. Percus-Yevick theory of correlation functions and nucleation effects in the sticky hard-sphere model Molecular Physics. 31: 535-548. DOI: 10.1080/00268977600100411  0.295
1981 Wright CC, Cummings PT. Solution of the Ornstein-Zernike equation for a softcore Yukawa fluid. II. Numerical results Journal of Statistical Physics. 24: 389-401. DOI: 10.1007/Bf01013308  0.295
1995 Kalyuzhnyi YV, Cummings PT. Solution of the polymer Percus–Yevick approximation for the multicomponent totally flexible sticky two‐point model of polymerizing fluid The Journal of Chemical Physics. 103: 3265-3267. DOI: 10.1063/1.470259  0.295
2018 Zheng T, Wu C, Zhang Y, Chen M, Cummings PT. Molecular Investigation of the Initial Nucleation of Calcium Phosphate on TiO2 Substrate: The Effects of Surface Nanotopographies Crystal Growth & Design. 18: 3283-3290. DOI: 10.1021/Acs.Cgd.7B01546  0.294
2007 Kalyuzhnyi YV, Cummings PT. Phase coexistence in polydisperse mixture of hard-sphere colloidal and flexible chain particles Chemical Physics Letters. 443: 243-247. DOI: 10.1016/J.Cplett.2007.06.052  0.294
1979 Cummings PT, Wright CC, Perram JW, Smith ER. Solution of the Ornstein-Zernike equation for a soft-core Yukawa fluid Journal of Statistical Physics. 21: 659-667. DOI: 10.1007/Bf01107908  0.294
2011 Wu C, Skelton AA, Chen M, Vl?ek L, Cummings PT. Modeling the interaction between integrin-binding peptide (RGD) and rutile surface: The effect of Na+ on peptide adsorption Journal of Physical Chemistry C. 115: 22375-22386. DOI: 10.1021/Jp2061915  0.294
2013 Kalyuzhnyi YV, Cummings PT. Two-patch colloidal model with re-entrant phase behaviour. The Journal of Chemical Physics. 139: 104905. PMID 24050363 DOI: 10.1063/1.4819058  0.294
2015 Mitchell LA, Schindler BJ, Das G, Dos Ramos MC, McCabe C, Cummings PT, Levan MD. Prediction of n -alkane adsorption on activated carbon using the SAFT-FMT-DFT approach Journal of Physical Chemistry C. 119: 1457-1463. DOI: 10.1021/Jp510515M  0.293
1979 Cummings P, Smith E, Wright C. Use of the Yukawa fluid as the reference system in perturbation theory Chemical Physics Letters. 66: 278-282. DOI: 10.1016/0009-2614(79)85016-2  0.293
1986 Gray CG, Sainger YS, Joslin CG, Cummings PT, Goldman S. Computer simulation of dipolar fluids. Dependence of the dielectric constant on system size: A comparative study of Ewald sum and reaction field approaches The Journal of Chemical Physics. 85: 1502-1504. DOI: 10.1063/1.451189  0.292
2001 Iee SH, Cummings PT. Shear Viscosity of Model Mixtures by Nonequilibrium Molecular Dynamics. IV. Effect of Molecular Shape Molecular Simulation. 27: 139-155. DOI: 10.1080/08927020108023020  0.292
2012 Kalyuzhnyi YV, Hlushak S, Cummings PT. Liquid-gas phase behavior of polydisperse dipolar hard-sphere fluid: Extended thermodynamic perturbation theory for central force associating potential Condensed Matter Physics. 15. DOI: 10.5488/Cmp.15.23605  0.292
1987 Cummings P, Stell G. Statistical mechanical models of chemical reactions Molecular Physics. 60: 1315-1342. DOI: 10.1080/00268978700100861  0.292
1999 Moore JD, Cui ST, Cochran HD, Cummings PT. Transient rheology of a polyethylene melt under shear. Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 60: 6956-9. PMID 11970633 DOI: 10.1103/Physreve.60.6956  0.291
2002 Rivera JL, McCabe C, Cummings PT. Layering Behavior and Axial Phase Equilibria of Pure Water and Water + Carbon Dioxide Inside Single Wall Carbon Nanotubes Nano Letters. 2: 1427-1431. DOI: 10.1021/Nl0257566  0.291
2010 Cole DR, Chialvo AA, Rother G, Vlcek L, Cummings PT. Supercritical fluid behavior at nanoscale interfaces: Implications for CO 2 sequestration in geologic formations Acs National Meeting Book of Abstracts. DOI: 10.1080/14786430903559458  0.29
2021 Matsumoto RA, Thompson MW, Vuong VQ, Zhang W, Shinohara Y, van Duin ACT, Kent PRC, Irle S, Egami T, Cummings PT. Investigating the Accuracy of Water Models through the Van Hove Correlation Function. Journal of Chemical Theory and Computation. PMID 34516134 DOI: 10.1021/acs.jctc.1c00637  0.29
1990 Morrison JF, Baker JC, Meredith HC, Newman KE, Walter TD, Massie JD, Perry RL, Cummings PT. Experimental measurement of vapor-liquid equilibrium in alcohol/water/salt systems Journal of Chemical & Engineering Data. 35: 395-404. DOI: 10.1021/Je00062A007  0.289
1999 Baranyai A, Cummings PT. Towards a computational chemical potential for nonequilibrium steady-state systems. Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 60: 5522-7. PMID 11970426 DOI: 10.1103/Physreve.60.5522  0.288
1991 Evans D, Cummings P. Non-equilibrium molecular dynamics algorithm for the calculation of thermal diffusion in simple fluid mixtures Molecular Physics. 72: 893-898. DOI: 10.1080/00268979100100621  0.288
2006 Leng Y, Cummings PT. Erratum: “Hydration structure of water confined between mica surfaces” [J. Chem. Phys. 124, 074711 (2006)] The Journal of Chemical Physics. 124: 219907. DOI: 10.1063/1.2206178  0.288
2010 Cummings PT, Docherty H, Iacovella CR, Singh JK. Phase transitions in nanoconfined fluids: The evidence from simulation and theory Aiche Journal. 56: 842-848. DOI: 10.1002/Aic.12226  0.287
2005 Delhommelle JP, Cummings PT. Simulation of friction in nanoconfined fluids for an arbitrarily low shear rate Aiche Annual Meeting, Conference Proceedings. 13884. DOI: 10.1103/Physrevb.72.172201  0.287
1991 Rudisill JW, Cummings PT. The contribution of internal degrees of freedom to the non-Newtonian rheology of model polymer fluids Rheologica Acta. 30: 33-43. DOI: 10.1007/Bf00366792  0.287
1995 Slusher JT, Cummings PT, Hu Y, Vega CA, O'Connell JP. Vapor-Liquid Equilibrium and Density Measurements of Alkylammonium Bromide + Propanol + Water Systems Journal of Chemical & Engineering Data. 40: 792-798. DOI: 10.1021/Je00020A012  0.284
2005 Zhao X, Striolo A, Cummings PT. C60 binds to and deforms nucleotides. Biophysical Journal. 89: 3856-62. PMID 16183879 DOI: 10.1529/Biophysj.105.064410  0.284
2015 Li S, Zhao W, Feng G, Cummings PT. A computational study of dicationic ionic liquids/CO₂ interfaces. Langmuir : the Acs Journal of Surfaces and Colloids. 31: 2447-54. PMID 25664401 DOI: 10.1021/La5048563  0.284
2018 Karzar-Jeddi M, Luo H, Cummings PT. Mobilities of polydisperse hard spheres near a no-slip wall Computers & Fluids. 176: 40-50. DOI: 10.1016/J.Compfluid.2018.09.003  0.283
1981 Cummings PT, Gray CG, Sullivan DE. Auxiliary sites in the RISM approximation for molecular fluids Journal of Physics a: Mathematical and General. 14: 1483-1512. DOI: 10.1088/0305-4470/14/6/024  0.282
1998 Chialvo AA, Cummings PT, Kalyuzhnyi YV. Solvation effect on kinetic rate constant of reactions in supercritical solvents Aiche Journal. 44: 667-680. DOI: 10.1002/Aic.690440315  0.28
1983 Cummings PT, Stell G. Random flights in Euclidean space. I. General analysis and results for flights with prescribed hit expectance density about the origin Journal of Statistical Physics. 33: 709-751. DOI: 10.1007/Bf01018840  0.28
2014 Feng G, Cummings PT. Integrated experimental and computational studies of energy-relevant interfaces Physics Procedia. 53: 32-38. DOI: 10.1016/J.Phpro.2014.06.022  0.278
1996 Kalyuzhnyi YV, Cummings PT. On the relation between the Wertheim’s two‐density integral equation theory for associating fluids and Chandler–Silbey–Ladanyi integral equation theory for site–site molecular fluids The Journal of Chemical Physics. 104: 3325-3328. DOI: 10.1063/1.471094  0.278
2006 Zhao X, Cummings PT. Molecular dynamics study of carbon nanotube oscillators revisited. The Journal of Chemical Physics. 124: 134705. PMID 16613466 DOI: 10.1063/1.2185623  0.278
2020 Summers AZ, Gilmer JB, Iacovella CR, Cummings PT, McCabe C. MoSDeF, a Python Framework Enabling Large-Scale Computational Screening of Soft Matter: Application to Chemistry-Property Relationships in Lubricating Monolayer Films. Journal of Chemical Theory and Computation. PMID 32004433 DOI: 10.1021/Acs.Jctc.9B01183  0.277
2014 Van Aken KL, McDonough JK, Li S, Feng G, Chathoth SM, Mamontov E, Fulvio PF, Cummings PT, Dai S, Gogotsi Y. Effect of cation on diffusion coefficient of ionic liquids at onion-like carbon electrodes. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 26: 284104. PMID 24920163 DOI: 10.1088/0953-8984/26/28/284104  0.277
2020 Martins ML, Sacci RL, Sanders NC, Tyler JL, Matsumoto RA, Popov I, Guo W, Dai S, Cummings PT, Sokolov AP, Mamontov E. Addition of Chloroform in a Solvent-In-Salt Electrolyte: Outcomes in the Microscopic Dynamics in Bulk and Confinement Journal of Physical Chemistry C. DOI: 10.1021/Acs.Jpcc.0C05311  0.276
1981 Cummings P, Morriss G, Wright C. Analytic solution of the RISM equation for symmetric diatomics with Yukawa closure Molecular Physics. 43: 1299-1309. DOI: 10.1080/00268978100102071  0.276
1988 Cui S, Johnson R, Cummings P. Classical dynamics description of low energy cascades in solids: Atomic ejection from solid argon Surface Science. 207: 186-206. DOI: 10.1016/0039-6028(88)90255-5  0.275
1982 Ziff RM, Stell G, Cummings PT. On the solution of the Boltzmann equation for Maxwellian molecules Physica a: Statistical Mechanics and Its Applications. 111: 288-300. DOI: 10.1016/0378-4371(82)90094-2  0.275
2003 Rivera JL, McCabe C, Cummings PT. Oscillatory Behavior of Double-Walled Nanotubes under Extension:  A Simple Nanoscale Damped Spring Nano Letters. 3: 1001-1005. DOI: 10.1021/Nl034171O  0.275
1995 Baranyai A, Cummings PT. Nonequilibrium molecular dynamics study of shear and shear‐free flows in simple fluids The Journal of Chemical Physics. 103: 10217-10225. DOI: 10.1063/1.469925  0.274
2002 Kalyuzhnyi YV, Cummings PT. Erratum: “Multicomponent mixture of charged hard-sphere chain molecules in the polymer mean-spherical approximation” [J. Chem. Phys. 115, 540 (2001)] The Journal of Chemical Physics. 116: 8637. DOI: 10.1063/1.1471902  0.272
1982 Cummings P, Stell G. Interaction site models for molecular fluids Molecular Physics. 46: 383-426. DOI: 10.1080/00268978200101291  0.271
2017 Zhan C, Zhang Y, Cummings PT, Jiang D. Computational insight into the capacitive performance of graphene edge planes Carbon. 116: 278-285. DOI: 10.1016/J.Carbon.2017.01.104  0.271
1990 Cummings PT, Monson PA. A new method for the numerical solution of integral equation approximations International Journal of Thermophysics. 11: 97-107. DOI: 10.1007/Bf00503862  0.271
1990 Dolan WB, Cummings PT, Van MDL. Algorithmic efficiency of simulated annealing for heat exchanger network design Computers & Chemical Engineering. 14: 1039-1050. DOI: 10.1016/0098-1354(90)85001-Q  0.271
1995 Chialvo AA, Cummings PT. Comment on ‘Near critical phase behaviour of dilute mixtures’ Molecular Physics. 84: 41-48. DOI: 10.1080/00268979500100031  0.27
2005 Delhommelle J, Cummings PT, Petravic J. Conductivity of molten sodium chloride in an arbitrarily weak dc electric field. The Journal of Chemical Physics. 123: 114505. PMID 16392571 DOI: 10.1063/1.2035085  0.269
2019 Summers AZ, Iacovella CR, Cane OM, Cummings PT, McCabe C. A Transferable, Multi-Resolution Coarse-Grained Model for Amorphous Silica Nanoparticles. Journal of Chemical Theory and Computation. PMID 30916968 DOI: 10.1021/Acs.Jctc.8B01269  0.269
2005 Quaranta V, Weaver AM, Cummings PT, Anderson AR. Mathematical modeling of cancer: the future of prognosis and treatment. Clinica Chimica Acta; International Journal of Clinical Chemistry. 357: 173-9. PMID 15907826 DOI: 10.1016/J.Cccn.2005.03.023  0.268
1989 Dolan WB, Cummings PT, LeVan MD. Process optimization via simulated annealing: Application to network design Aiche Journal. 35: 725-736. DOI: 10.1002/Aic.690350504  0.266
1990 Das H, Cummings PT, Van MDL. Scheduling of serial multiproduct batch processes via simulated annealing Computers & Chemical Engineering. 14: 1351-1362. DOI: 10.1016/0098-1354(90)80017-6  0.265
2015 Kalyuzhnyi YV, Holovko M, Patsahan T, Cummings PT. Correction to "Phase Behavior and Percolation Properties of the Patchy Colloidal Fluids in the Random Porous Media". The Journal of Physical Chemistry Letters. 6: 250. PMID 26263458 DOI: 10.1021/Jz502750V  0.264
1995 Tandon M, Cummings PT, Van MDL. Scheduling of multiple products on parallel units with tardiness penalties using simulated annealing Computers & Chemical Engineering. 19: 1069-1076. DOI: 10.1016/0098-1354(94)00100-3  0.264
1982 Cummings P, Sullivan D. Exact asymptotic form of the site-site direct correlation function for linear triatomic molecules Molecular Physics. 46: 665-670. DOI: 10.1080/00268978200101501  0.263
2012 Wan L, Iacovella CR, Nguyen TD, Docherty H, Cummings PT. Confined fluid and the fluid-solid transition: Evidence from absolute free energy calculations Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.214105  0.262
2006 Anderson AR, Weaver AM, Cummings PT, Quaranta V. Tumor morphology and phenotypic evolution driven by selective pressure from the microenvironment. Cell. 127: 905-15. PMID 17129778 DOI: 10.1016/J.Cell.2006.09.042  0.26
1995 Baranyai A, Cummings PT. Fluctuations close to equilibrium. Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 52: 2198-2203. PMID 9963659 DOI: 10.1103/Physreve.52.2198  0.26
2002 McCurdy CW, Stechel E, Cummings P, Hendrickson B, Keyes D. Theory and modeling in nanoscience: Report of the May 10-11, 2002 Workshop Lawrence Berkeley National Laboratory. DOI: 10.2172/877317  0.26
1995 Baranyai A, Cummings PT. Self-diffusion in strongly driven flows: A non-equilibrium molecular dynamics study Molecular Physics. 86: 1307-1314. DOI: 10.1080/00268979500102751  0.26
2020 Abedini N, Kassaee MZ, Cummings PT. Effects of nitrogen atoms on the stability and reactivity of tricyclic boracarbenes by DFT Theoretical Chemistry Accounts. 139: 1-11. DOI: 10.1007/S00214-020-02659-Z  0.258
2012 Hantel MM, Presser V, McDonough JK, Feng G, Cummings PT, Gogotsi Y, Kötz R. In situ electrochemical dilatometry of onion-like carbon and carbon black Journal of the Electrochemical Society. 159: A1897-A1903. DOI: 10.1149/2.006212Jes  0.257
2002 BORZSÁK I, CUMMINGS PT, EVANS DJ. Shear viscosity of a simple fluid over a wide range of strain rates Molecular Physics. 100: 2735-2738. DOI: 10.1080/00268970210137275  0.256
1993 Chialvo AA, Cummings PT. Unified expression for the calculation of thermal conductivity in the canonical ensemble Molecular Physics. 78: 791-797. DOI: 10.1080/00268979300100541  0.256
2019 Karzar-Jeddi M, Luo H, Cummings PT, Hatzell KB. Computational Modeling of Particle Hydrodynamics and Charging Process for the Flowable Electrodes of Carbon Slurry Journal of the Electrochemical Society. 166: A2643-A2653. DOI: 10.1149/2.1191912Jes  0.255
1981 Wright C, Cummings P. A new perturbation theory for potentials with a soft core Chemical Physics Letters. 83: 120-124. DOI: 10.1016/0009-2614(81)80302-8  0.255
2001 Kim SC, Cummings PT. Adsorption properties of a colloid-polymer mixture confined in a slit pore. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 64: 041507. PMID 11690033 DOI: 10.1103/Physreve.64.041507  0.254
1981 Cummings PT, Stell G. Exact asymptotic form of the site-site direct correlation function for rigid polar molecules Molecular Physics. 44: 529-531. DOI: 10.1080/00268978100102621  0.253
1984 Cummings P, Morriss G, Stell G. Analytic studies of the hard dumbell fluid Molecular Physics. 51: 289-311. DOI: 10.1080/00268978400100201  0.251
1984 Ziff RM, Cummings PT, Stells G. Generation of percolation cluster perimeters by a random walk Journal of Physics a: General Physics. 17: 3009-3017. DOI: 10.1088/0305-4470/17/15/018  0.251
1991 Banerjee S, Johnson RE, Cui St, Cummings PT. Molecular-dynamics simulation of prompt sputtering of a molecular solid at high excitation densities. Physical Review. B, Condensed Matter. 43: 12707-12714. PMID 9997083 DOI: 10.1103/Physrevb.43.12707  0.25
1991 Tandon M, Cummings PT, LeVan MD. Flowshop sequencing with non-permutation schedules Computers and Chemical Engineering. 15: 601-607. DOI: 10.1016/0098-1354(91)80014-M  0.248
2015 Klein C, Iacovella CR, McCabe C, Cummings PT. Tunable transition from hydration to monomer-supported lubrication in zwitterionic monolayers revealed by molecular dynamics simulation. Soft Matter. 11: 3340-6. PMID 25790338 DOI: 10.1039/C4Sm02883J  0.246
2004 Paricaud P, Varga S, Cummings PT, Jackson G. Effect of polymer chain-length polydispersity on the phase behavior of model athermal mixtures of colloids and flexible self-excluding polymers Chemical Physics Letters. 398: 489-494. DOI: 10.1016/J.Cplett.2004.09.071  0.243
2005 Leng Y, Cummings PT. Erratum: Fluidity of Hydration Layers Nanoconfined between Mica Surfaces [Phys. Rev. Lett.94, 026101 (2005)] Physical Review Letters. 94. DOI: 10.1103/Physrevlett.94.069902  0.241
1989 Cui S, Johnson RE, Cummings PT. Ejection of atoms upon self-trapping of an atomic exciton in solid argon. Physical Review. B, Condensed Matter. 39: 9580-9583. PMID 9947696 DOI: 10.1103/Physrevb.39.9580  0.237
1982 Cummings PT, Morriss GP, Stell G. Solution of the site-site Ornstein-Zernike equation for nonideal dipolar spheres The Journal of Physical Chemistry. 86: 1696-1700. DOI: 10.1021/J100206A043  0.237
2022 Martins ML, Lin X, Gainaru C, Keum JK, Cummings PT, Sokolov AP, Sacci RL, Mamontov E. Structure-Dynamics Interrelation Governing Charge Transport in Cosolvated Acetonitrile/LiTFSI Solutions. The Journal of Physical Chemistry. B. PMID 36577128 DOI: 10.1021/acs.jpcb.2c07327  0.237
2009 Cummings PT. Joint Statement of Editors of Journals Publishing Thermophysical Property Data. Process for Article Submission for The Journal of Chemical Thermodynamics, Fluid Phase Equilibria, International Journal of Thermophysics, Thermochimica Acta, and Journal of Chemical Engineering Data Fluid Phase Equilibria. 276: 165-166. DOI: 10.1016/J.Fluid.2008.12.005  0.235
1987 Lee S, Cummings P, Stell G. Statistical mechanical models of chemical reactions Molecular Physics. 62: 65-90. DOI: 10.1080/00268978700102061  0.235
2013 Chirico RD, Frenkel M, Magee JW, Diky V, Muzny CD, Kazakov AF, Kroenlein K, Abdulagatov I, Hardin GR, Acree WE, Brenneke JF, Brown PL, Cummings PT, De Loos TW, Friend DG, et al. Improvement of quality in publication of experimental thermophysical property data: Challenges, assessment tools, global implementation, and online support Journal of Chemical and Engineering Data. 58: 2699-2716. DOI: 10.1021/Je400569S  0.233
2019 Ashenagar S, Kassaee MZ, Cummings PT. Novel triplet germylenes in focus: normal vs. abnormal triplet exocyclic tetrazol-5-vinylidene germylenes at DFT. Journal of Molecular Modeling. 25: 371. PMID 31792606 DOI: 10.1007/S00894-019-4213-2  0.231
1999 Cui ST, Cummings PT, Cochran HD. Molecular dynamics simulation of the rheological and dynamical properties of a model alkane fluid under confinement The Journal of Chemical Physics. 111: 1273-1280. DOI: 10.1063/1.479312  0.23
2019 Cummings PT, Gilmer JB. Open-source molecular modeling software in chemical engineering Current Opinion in Chemical Engineering. 23: 99-105. DOI: 10.1016/J.Coche.2019.03.008  0.228
2010 P?edota M, Wesolowski DJ, MacHesky ML, Cummings PT. Molecular dynamics simulations of rutile/aqueous solution interface Water-Rock Interaction - Proceedings of the 13th International Conference On Water-Rock Interaction, Wri-13. 815-818.  0.228
2016 Zhan C, Zhang Y, Cummings PT, Jiang DE. Enhancing graphene capacitance by nitrogen: effects of doping configuration and concentration. Physical Chemistry Chemical Physics : Pccp. PMID 26794824 DOI: 10.1039/C5Cp06952A  0.228
2020 Thompson MW, Gilmer JB, Matsumoto RA, Quach CD, Shamaprasad P, Yang AH, Iacovella CR, Cabe CM, Cummings PT. Towards Molecular Simulations that are Transparent, Reproducible, Usable By Others, and Extensible (TRUE). Molecular Physics. 118. PMID 33100401 DOI: 10.1080/00268976.2020.1742938  0.228
2018 Eidi E, Kassaee MZ, Cummings PT. β-Enaminones over recyclable nano-CoFe2O4: a highly efficient solvent-free green protocol Research On Chemical Intermediates. 44: 5787-5799. DOI: 10.1007/S11164-018-3454-5  0.225
2019 Shinohara Y, Matsumoto R, Thompson MW, Ryu CW, Dmowski W, Iwashita T, Ishikawa D, Baron AQR, Cummings PT, Egami T. Identifying Water-Anion Correlated Motion in Aqueous Solutions through Van Hove Functions. The Journal of Physical Chemistry Letters. 7119-7125. PMID 31693369 DOI: 10.1021/Acs.Jpclett.9B02891  0.224
2018 Kassaee M, Khorshidvand N, Ahmadi A, Cummings P. Steric effects on normal and abnormal acyclic, cyclic-saturated, and cyclic-unsaturated diaminocarbenes using DFT method Journal of Physical Organic Chemistry. 32: e3898. DOI: 10.1002/Poc.3898  0.221
1992 Strauch HJ, Cummings PT. Comment on: Molecular simulation of water along the liquid–vapor coexistence curve from 25 °C to the critical point The Journal of Chemical Physics. 96: 864-865. DOI: 10.1063/1.462421  0.221
2016 Osti NC, Van Aken KL, Thompson MW, Tiet F, Jiang DE, Cummings PT, Gogotsi Y, Mamontov E. Solvent Polarity Governs Ion Interactions and Transport in a Room Temperature Ionic Liquid. The Journal of Physical Chemistry Letters. PMID 27966964 DOI: 10.1021/Acs.Jpclett.6B02587  0.22
2011 Kalyuzhnyi YV, Docherty H, Cummings PT. Resummed thermodynamic perturbation theory for central force associating potential. Multi-patch models. The Journal of Chemical Physics. 135: 014501. PMID 21744904 DOI: 10.1063/1.3604819  0.219
2018 Eidi E, Kassaee MZ, Nasresfahani Z, Cummings PT. Gallic acid-functionalized magnetic nanoparticles: a convenient and green approach for synthesis of α-aminonitriles under solvent-free conditions Research On Chemical Intermediates. 45: 303-314. DOI: 10.1007/S11164-018-3603-X  0.219
1996 Cui ST, Cummings PT, Cochran HD. Multiple time step nonequilibrium molecular dynamics simulation of the rheological properties of liquid n‐decane The Journal of Chemical Physics. 104: 255-262. DOI: 10.1063/1.470896  0.219
2021 Zaman W, Matsumoto RA, Thompson MW, Liu YH, Bootwala Y, Dixit MB, Nemsak S, Crumlin E, Hatzell MC, Cummings PT, Hatzell KB. In situ investigation of water on MXene interfaces. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 34845014 DOI: 10.1073/pnas.2108325118  0.218
1979 Cummings P, Smith E. On the Yukawa closure of the Ornstein-Zernike equation Molecular Physics. 38: 997-1001. DOI: 10.1080/00268977900102181  0.215
2005 Striolo A, Gubbins KE, Gruszkiewicz MS, Cole DR, Simonson JM, Chialvo AA, Cummings PT, Burchell TD, More KL. Effect of temperature on the adsorption of water in porous carbons. Langmuir : the Acs Journal of Surfaces and Colloids. 21: 9457-67. PMID 16207022 DOI: 10.1021/la051120t  0.215
2004 McCabe C, Glotzer SC, Kieffer J, Neurock M, Cummings PT. Multiscale simulation of the synthesis, assembly and properties of nanostructured organic/inorganic hybrid materials Journal of Computational and Theoretical Nanoscience. 1: 265-279. DOI: 10.1166/Jctn.2004.024  0.214
2021 DeFever RS, Matsumoto RA, Dowling AW, Cummings PT, Maginn EJ. MoSDeF Cassandra: A complete Python interface for the Cassandra Monte Carlo software. Journal of Computational Chemistry. PMID 33931885 DOI: 10.1002/jcc.26544  0.214
2014 Black JM, Feng G, Fulvio PF, Hillesheim PC, Dai S, Gogotsi Y, Cummings PT, Kalinin SV, Balke N. Strain-based in situ study of anion and cation insertion into porous carbon electrodes with different pore sizes Advanced Energy Materials. 4. DOI: 10.1002/Aenm.201300683  0.211
2002 Cummings PT, Jackson G, Rowlinson JS. Keith E. Gubbins: A celebration of statistical mechanics Molecular Physics. 100: 2003-2016. DOI: 10.1080/00268970210142666  0.21
2012 Feng G, Jiang DE, Cummings PT. Curvature Effect on the Capacitance of Electric Double Layers at Ionic Liquid/Onion-Like Carbon Interfaces. Journal of Chemical Theory and Computation. 8: 1058-63. PMID 26593366 DOI: 10.1021/Ct200914J  0.21
2022 Cui J, Lin X, Zhao W, Cummings PT, Pruski M, Kobayashi T. NMR and Theoretical Study of In-Pore Diffusivity of Ionic Liquid-Solvent Mixtures. The Journal of Physical Chemistry. B. PMID 35731620 DOI: 10.1021/acs.jpcb.2c00860  0.209
2019 Ayoubi‐Chianeh M, Kassaee MZ, Ashenagar S, Cummings PT. Nucleophilicity of cyclic conjugated silylenes using DFT method Journal of Physical Organic Chemistry. 32. DOI: 10.1002/Poc.3956  0.207
2013 Schindler BJ, Mitchell LA, McCabe C, Cummings PT, LeVan MD. Adsorption of chain molecules in slit-shaped pores: Development of a SAFT-FMT-DFT approach Journal of Physical Chemistry C. 117: 21337-21350. DOI: 10.1021/Jp406572D  0.206
2005 Striolo A, McCabe C, Cummings PT. Polyhedral oligomeric sislesquioxanes in solution: Insights from all-atom molecular dynamics simulations Aiche Annual Meeting, Conference Proceedings. 1128.  0.206
2018 Eidi E, Kassaee MZ, Nasresfahani Z, Cummings PT. Synthesis of quinazolines over recyclable Fe3 O4 @SiO2 -PrNH2 -Fe3+ nanoparticles: A green, efficient, and solvent-free protocol Applied Organometallic Chemistry. 32: e4573. DOI: 10.1002/Aoc.4573  0.203
2013 Varga G, Toth S, Iacovella CR, Sallai J, Volgyesi P, Ledeczi A, Karsai G, Cummings PT. Web-based metaprogrammable frontend for molecular dynamics simulations Simultech 2013 - Proceedings of the 3rd International Conference On Simulation and Modeling Methodologies, Technologies and Applications. 171-178.  0.201
2010 Chialvo AA, Cummings PT. ChemInform Abstract: Molecular-Based Modeling of Water and Aqueous Solutions at Supercritical Conditions Cheminform. 30: no-no. DOI: 10.1002/chin.199935286  0.199
2009 Cummings PT, Loos Td, O’Connell JP, Haynes WM(, Friend DG, Mandelis A, Marsh KN, Brown PL, Chirico R, Goodwin ARH, Wu J, Weir RD, Trusler JPM, Pádua A, Rives V, et al. Joint statement of editors of journals publishing thermophysical property data The Journal of Chemical Thermodynamics. 41: 575-576. DOI: 10.1021/Je8009607  0.198
2005 Cummings PT. Reviews in Computational Chemistry, Volume 21 Edited by Kenny B. Lipkowitz (North Dakota State University), Raima Larter (Indiana University-Purdue University), and Thomas R. Cundari (University of North Texas). John Wiley & Sons, Inc.: Hoboken, NJ. 2005. xxviii + 443 pp. $150.00. ISBN 0-471-68239-X. Journal of the American Chemical Society. 127: 17128-17128. DOI: 10.1021/Ja059753H  0.198
2019 Zamanzadeh AH, Mohebi N, Kassaee MZ, Cummings P, Dong K. Novel N-heterocyclic Stannylenes (NHSns) Using DFT Physical Chemistry Research. 7: 511-521. DOI: 10.22036/Pcr.2019.172684.1597  0.198
1999 Kalyuzhnyi YV, Cui ST, Cummings PT, Cochran HD. Distribution functions of a simple fluid under shear: low shear rates. Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 60: 1716-23. PMID 11969953  0.197
2013 Black JM, Walters D, Labuda A, Feng G, Hillesheim PC, Dai S, Cummings PT, Kalinin SV, Proksch R, Balke N. Bias-dependent molecular-level structure of electrical double layer in ionic liquid on graphite. Nano Letters. 13: 5954-60. PMID 24215396 DOI: 10.1021/Nl4031083  0.195
1997 Cui ST, Cochran HD, Cummings PT, Kumar SK. Computer Simulations of the Static Scattering from Model Polymer Blends Macromolecules. 30: 3375-3382. DOI: 10.1021/Ma961020H  0.195
2023 Crawford B, Timalsina U, Quach CD, Craven NC, Gilmer JB, McCabe C, Cummings PT, Potoff JJ. MoSDeF-GOMC: Python Software for the Creation of Scientific Workflows for the Monte Carlo Simulation Engine GOMC. Journal of Chemical Information and Modeling. PMID 36791286 DOI: 10.1021/acs.jcim.2c01498  0.194
2005 Koparde VN, Cummings PT. Molecular dynamics simulation of titania nanoparticles Aiche Annual Meeting, Conference Proceedings. 3022-3023.  0.194
2017 Zhan C, Lian C, Zhang Y, Thompson MW, Xie Y, Wu J, Kent PRC, Cummings PT, Jiang DE, Wesolowski DJ. Computational Insights into Materials and Interfaces for Capacitive Energy Storage. Advanced Science (Weinheim, Baden-Wurttemberg, Germany). 4: 1700059. PMID 28725531 DOI: 10.1002/Advs.201700059  0.194
2020 Cummings PT, Fauchet PM, Goldfarb M, Jones MWM, Kunda M, Perlin JB, Sarkar N, Stassun KG, Warren ZE, Zelik KE. Engineering for inclusion: Empowering individuals with physical and neurological differences through engineering invention, research, and development Engineering. DOI: 10.1016/J.Eng.2020.06.020  0.192
2015 Rouha M, Cummings PT. Thickness-dependent structural arrangement in nano-confined imidazolium-based ionic liquid films. Physical Chemistry Chemical Physics : Pccp. 17: 4152-9. PMID 25563888 DOI: 10.1039/c4cp05138f  0.187
2022 Popov I, Khamzin A, Matsumoto RA, Zhao W, Lin X, Cummings PT, Sokolov AP. Controlling the Ion Transport Number in Solvent-in-Salt Solutions. The Journal of Physical Chemistry. B. PMID 35687852 DOI: 10.1021/acs.jpcb.2c02218  0.185
2012 Zhou H, Rouha M, Feng G, Lee SS, Docherty H, Fenter P, Cummings PT, Fulvio PF, Dai S, McDonough J, Presser V, Gogotsi Y. Nanoscale perturbations of room temperature ionic liquid structure at charged and uncharged interfaces. Acs Nano. 6: 9818-27. PMID 23092400 DOI: 10.1021/Nn303355B  0.183
2019 Thompson MW, Matsumoto R, Sacci RL, Sanders NC, Cummings PT. Scalable Screening of Soft Matter: Case Study of Mixtures of Ionic Liquids and Organic Solvents. The Journal of Physical Chemistry. B. PMID 30652873 DOI: 10.1021/acs.jpcb.8b11527  0.183
2007 Tao Z, Vlcek L, Cummings PT. Molecular dynamics simulation of inorganic ions in PEO aqueous solution using on quantum-chemistry-based force field 2007 Aiche Annual Meeting.  0.182
2016 Mahurin SM, Mamontov E, Thompson MW, Zhang P, Turner CH, Cummings PT, Dai S. Relationship between pore size and reversible and irreversible immobilization of ionic liquid electrolytes in porous carbon under applied electric potential Applied Physics Letters. 109. DOI: 10.1063/1.4964130  0.181
1987 Cummings PT, Morriss GP. Non-equilibrium molecular dynamics calculation of the shear viscosity of liquid rubidium Journal of Physics F: Metal Physics. 17: 593-604. DOI: 10.1088/0305-4608/17/3/007  0.179
2020 Cui J, Kobayashi T, Sacci RL, Matsumoto RA, Cummings PT, Pruski M. Diffusivity and Structure of Room Temperature Ionic Liquid in Various Organic Solvents. The Journal of Physical Chemistry. B. PMID 33086001 DOI: 10.1021/acs.jpcb.0c07582  0.179
2022 Osti NC, Thapaliya BP, Matsumoto RA, Bansal A, Lin X, Cummings PT, Tyagi M, Dai S, Mamontov E. Direct Correlation of the Salt-Reduced Diffusivities of Organic Solvents with the Solvent's Mole Fraction. The Journal of Physical Chemistry Letters. 13: 2845-2850. PMID 35324215 DOI: 10.1021/acs.jpclett.2c00487  0.178
2001 Cui ST, Cummings PT, Cochran HD. Molecular simulation of the transition from liquidlike to solidlike behavior in complex fluids confined to nanoscale gaps The Journal of Chemical Physics. 114: 7189-7195. DOI: 10.1063/1.1359736  0.177
2024 Kalyuzhnyi YV, Patsahan T, Holovko M, Cummings PT. Phase behavior of patchy colloids confined in patchy porous media. Nanoscale. 16: 4668-4677. PMID 38305436 DOI: 10.1039/d3nr02866f  0.175
2019 Matsumoto RA, Thompson MW, Cummings PT. Ion Pairing Controls Physical Properties of Ionic Liquid-Solvent Mixtures. The Journal of Physical Chemistry. B. PMID 31661280 DOI: 10.1021/acs.jpcb.9b08509  0.174
2006 O'Connell JP, Cummings PT. John M. Prausnitz at Berkeley, 1955-2005 Fluid Phase Equilibria. 241: 1-3. DOI: 10.1016/J.Fluid.2006.01.015  0.173
1990 Blum L, Cummings PT, Bratko D. A general solution of the molecular Ornstein–Zernike equation for spheres with anisotropic adhesion and electric multipoles The Journal of Chemical Physics. 92: 3741-3747. DOI: 10.1063/1.457832  0.172
1995 Fetsko SW, Cummings PT. Brownian dynamics simulation of bead–spring chain models for dilute polymer solutions in elongational flow Journal of Rheology. 39: 285-299. DOI: 10.1122/1.550722  0.172
2020 Popov I, Sacci RL, Sanders NC, Matsumoto RA, Thompson MW, Osti NC, Kobayashi T, Tyagi M, Mamontov E, Pruski M, Cummings PT, Sokolov AP. Critical Role of Anion–Solvent Interactions for Dynamics of Solvent-in-Salt Solutions The Journal of Physical Chemistry C. 124: 8457-8466. DOI: 10.1021/Acs.Jpcc.9B10807  0.172
2000 Chialvo AA, Yezdimer E, Driesner T, Cummings PT, Simonson J. The structure of water from 25°C to 457°C: comparison between neutron scattering and molecular simulation Chemical Physics. 258: 109-120. DOI: 10.1016/S0301-0104(00)00131-2  0.171
2005 Leng Y, Cummings PT. Viscosity of hydration water under subnanometer confinement between mica surfaces Aiche Annual Meeting, Conference Proceedings. 1124.  0.17
1993 Wang BY, Cummings PT. Non-Equilibrium Molecular Dynamics Calculation of the Shear Viscosity of Carbon Dioxide/Ethane Mixtures Molecular Simulation. 10: 1-11. DOI: 10.1080/08927029308022493  0.169
2005 Zhao X, Leng Y, Cummings PT. Self assembly of 1,4-benzenedithiolate-tetrahydrofuran mixtures on gold surface: A Monte Carlo simulation study Aiche Annual Meeting, Conference Proceedings. 10555.  0.168
2006 Leng Y, Cummings PT. Hydration structure and shear viscosity of water nanoconfined between mica surfaces 2006 Asme Joint U.S.-European Fluids Engineering Summer Meeting, Fedsm 2006. 2006.  0.166
2017 Thompson M, Dyatkin B, Wang H, Turner C, Sang X, Unocic R, Iacovella C, Gogotsi Y, van Duin A, Cummings P. An Atomistic Carbide-Derived Carbon Model Generated Using ReaxFF-Based Quenched Molecular Dynamics C. 3: 32. DOI: 10.3390/c3040032  0.166
2005 Tao Z, Cummings PT. Improved polarizable potential model and simulation study of aqueous systems of n polyethylene oxide and inorganic salts Aiche Annual Meeting, Conference Proceedings. 4695.  0.165
2005 Zhao X, Striolo A, Cummings PT. Interaction between DNA molecules and fullerenes: Molecular dynamics study Aiche Annual Meeting, Conference Proceedings. 11668.  0.158
2005 Payne CM, Zhao X, Cummings PT, Lee JW. Molecular dynamics simulation of a nanoscale device for fast sequencing of DNA Aiche Annual Meeting, Conference Proceedings. 5067.  0.153
2021 Brady A, Liang K, Vuong VQ, Sacci R, Prenger K, Thompson M, Matsumoto R, Cummings P, Irle S, Wang HW, Naguib M. Pre-Sodiated TiCT MXene Structure and Behavior as Electrode for Sodium-Ion Capacitors. Acs Nano. PMID 33513013 DOI: 10.1021/acsnano.0c09301  0.153
2022 Chen Z, Li Z, Zhao W, Matsumoto RA, Thompson MW, Morales-Collazo O, Cummings PT, Mangolini F, Brennecke JF. Investigation of Multilayered Structures of Ionic Liquids on Graphite and Platinum Using Atomic Force Microscopy and Molecular Simulations. Langmuir : the Acs Journal of Surfaces and Colloids. 38: 4036-4047. PMID 35313730 DOI: 10.1021/acs.langmuir.2c00024  0.152
2014 Maerzke KA, Gai L, Cummings PT, McCabe C. Simulating phase equilibria using wang-landau-transition matrix monte carlo Journal of Physics: Conference Series. 487. DOI: 10.1088/1742-6596/487/1/012002  0.151
2024 Lin X, Tee SR, Kent PRC, Searles DJ, Cummings PT. Development of Heteroatomic Constant Potential Method with Application to MXene-Based Supercapacitors. Journal of Chemical Theory and Computation. PMID 38211325 DOI: 10.1021/acs.jctc.3c00940  0.151
2022 Ko TY, Kim D, Kim SJ, Kim H, Nissimagoudar AS, Lee SC, Lin X, Cummings PT, Doo S, Park S, Hassan T, Oh T, Chae A, Lee J, Gogotsi Y, et al. Universal Ligands for Dispersion of Two-Dimensional MXene in Organic Solvents. Acs Nano. PMID 36374133 DOI: 10.1021/acsnano.2c08209  0.145
1992 Wang B, Cummings P, Evans D. Nonequilibrium molecular dynamics study of molecular contributions to the thermal conductivity of carbon dioxide Molecular Physics. 75: 1345-1356. DOI: 10.1080/00268979200101021  0.145
1991 Cummings PT, Wang BY, Evans DJ, Fraser KJ. Nonequilibrium molecular dynamics calculation of self‐diffusion in a non‐Newtonian fluid subject to a Couette strain field The Journal of Chemical Physics. 94: 2149-2158. DOI: 10.1063/1.459886  0.138
2017 Osti NC, Dyatkin B, Thompson MW, Tiet F, Zhang P, Dai S, Tyagi M, Cummings PT, Gogotsi Y, Wesolowski DJ, Mamontov E. Influence of humidity on performance and microscopic dynamics of an ionic liquid in supercapacitor Physical Review Materials. 1. DOI: 10.1103/Physrevmaterials.1.035402  0.136
2024 Nehil-Puleo K, Quach CD, Craven NC, McCabe C, Cummings PT. E() Equivariant Graph Neural Network for Learning Interactional Properties of Molecules. The Journal of Physical Chemistry. B. PMID 38232317 DOI: 10.1021/acs.jpcb.3c07304  0.134
2005 Schindler BJ, McCabe C, Cummings PT, Douglas LeVan M. Comparison of adsorption of spherical and non-spherical nitrogen in parallel slit pores using density functional theory: Density profiles and pore size distributions Aiche Annual Meeting, Conference Proceedings. 1846.  0.127
2016 Zheng T, Wu C, Chen M, Zhang Y, Cummings PT. Molecular mechanics of the cooperative adsorption of a Pro-Hyp-Gly tripeptide on a hydroxylated rutile TiO2(110) surface mediated by calcium ions. Physical Chemistry Chemical Physics : Pccp. PMID 27383367 DOI: 10.1039/c6cp03046g  0.125
2016 Black JM, Zhu M, Zhang P, Unocic RR, Guo D, Okatan MB, Dai S, Cummings PT, Kalinin SV, Feng G, Balke N. Fundamental aspects of electric double layer force-distance measurements at liquid-solid interfaces using atomic force microscopy. Scientific Reports. 6: 32389. PMID 27587276 DOI: 10.1038/Srep32389  0.122
1983 Cummings PT, Perram JW. Journal of Physics a: Mathematical and General. 16: 4269-4273. DOI: 10.1088/0305-4470/16/18/028  0.12
2005 Striolo A, Jain SK, Pikunic JP, Pellenq RJM, Chialvo A, Gubbins KE, Cummings PT. Water adsorption isotherms in molecularly reconstructed models of activated and un-activated carbons obtained from saccharose Aiche Annual Meeting, Conference Proceedings. 1836.  0.118
2015 Kalyuzhnyi YV, Holovko M, Patsahan T, Cummings PT. Correction to "Phase Behavior and Percolation Properties of the Patchy Colloidal Fluids in the Random Porous Media" Journal of Physical Chemistry Letters. 6: 250. DOI: 10.1021/jz502750v  0.118
2014 Kalyuzhnyi YV, Holovko M, Patsahan T, Cummings PT. Phase behavior and percolation properties of the patchy colloidal fluids in the random porous media Journal of Physical Chemistry Letters. 5: 4260-4264. DOI: 10.1021/jz502135f  0.116
2011 Simpson ML, Cummings PT. Fluctuations and correlations in physical and biological nanosystems: the tale is in the tails. Acs Nano. 5: 2425-32. PMID 21456547 DOI: 10.1021/nn201011m  0.114
2013 Chialvo AA, Vlcek L, Cummings PT. Surface corrugation effects on the behavior of water under extreme graphene confinement Engineering Sciences and Fundamentals 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 1: 559-560.  0.113
2022 Quach CD, Gilmer JB, Pert D, Mason-Hogans A, Iacovella CR, Cummings PT, McCabe C. High-throughput screening of tribological properties of monolayer films using molecular dynamics and machine learning. The Journal of Chemical Physics. 156: 154902. PMID 35459321 DOI: 10.1063/5.0080838  0.111
2014 Chialvo AA, Vlcek L, Cummings PT. Surface strain effects on the water-graphene interfacial and confinement behavior Journal of Physical Chemistry C. 118: 19701-19711. DOI: 10.1021/jp501776m  0.107
2005 Cummings PT, Leng Y. Integrated multiscale modeling of molecular computing devices Journal of Physics: Conference Series. 16: 269-272. DOI: 10.1088/1742-6596/16/1/036  0.105
2006 CUMMINGS P, FENG X. SHARP REGULARITY COEFFICIENT ESTIMATES FOR COMPLEX-VALUED ACOUSTIC AND ELASTIC HELMHOLTZ EQUATIONS Mathematical Models and Methods in Applied Sciences. 16: 139-160. DOI: 10.1142/S021820250600108X  0.105
2005 Pu Q, Leng Y, Cummings PT. Structure and energetics of gold breaking junctions Aiche Annual Meeting, Conference Proceedings. 11150.  0.103
1983 Morriss G, Cummings P. Analytic studies of the hard dumbell fluid Molecular Physics. 49: 1103-1120. DOI: 10.1080/00268978300101801  0.103
1983 Cummings PT, Stell G. Critical behavior of the Yukawa fluid in the mean spherical approximation The Journal of Chemical Physics. 78: 1917-1923. DOI: 10.1063/1.444936  0.102
2012 Li S, Feng G, Fulvio PF, Hillesheim P, Liao C, Dai S, Cummings PT. Electrochemical performance of binary mixture of ionic liquids electrolytes in supercapacitors Aiche 2012 - 2012 Aiche Annual Meeting, Conference Proceedings.  0.102
2005 Leng Y, Krstic PS, Wells JC, Cummings PT, Dean DJ. Development of classical force field for the chemical bonding between benzenedithiolate and gold Aiche Annual Meeting, Conference Proceedings. 10218.  0.097
1987 Arlinghaus RT, Cummings PT. The role of the pair potential in determining the structure factor of liquid rubidium Journal of Physics F: Metal Physics. 17: 797-807. DOI: 10.1088/0305-4608/17/4/007  0.096
2012 Feng G, Jiang DE, Cummings PT. Curvature effect on the capacitance of electric double layers at ionic liquid/onion-like carbon interfaces Journal of Chemical Theory and Computation. 8: 1058-1063. DOI: 10.1021/ct200914j  0.096
1999 Cui ST, Cochran HD, Cummings PT. Vapor-Liquid Phase Coexistence of Alkane−Carbon Dioxide and Perfluoroalkane−Carbon Dioxide Mixtures The Journal of Physical Chemistry B. 103: 4485-4491. DOI: 10.1021/jp984147c  0.094
2010 Docherty H, Cummings PT. Direct evidence for fluid-solid transition of nanoconfined fluids Soft Matter. 6: 1640-1643. DOI: 10.1039/c000821d  0.091
1979 Cummings P, Smith E. Liquid—gas transition for hard spheres with attractive Yukawa tail interactions Chemical Physics. 42: 241-247. DOI: 10.1016/0301-0104(79)80071-3  0.091
2003 Cummings P, McKnight B, Weiss NS. Matched-pair cohort methods in traffic crash research. Accident; Analysis and Prevention. 35: 131-41. PMID 12479904 DOI: 10.1016/S0001-4575(01)00108-7  0.089
2005 Vlcek L, Cummings PT. Microscopic structure of the electric double layer at the cassiterite surfaces Aiche Annual Meeting, Conference Proceedings. 1337.  0.088
2010 Cole DR, Chialvo AA, Rother G, Vlcek L, Cummings PT. Supercritical fluid behavior at nanoscale interfaces: Implications for CO2 sequestration in geologic formations Philosophical Magazine. 90: 2339-2363. DOI: 10.1080/14786430903559458  0.084
1985 Cummings P, Stell G. Statistical mechanical models of chemical reactions Molecular Physics. 55: 33-48. DOI: 10.1080/00268978500101141  0.084
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