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

216 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
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  0.36
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  0.68
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  0.68
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  0.68
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  0.48
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  1
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  0.36
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  0.36
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  0.68
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  0.36
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  1
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  1
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  1
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  1
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  0.68
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  1
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  0.56
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  1
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  1
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  1
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  1
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  1
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  1
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  0.56
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  1
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  1
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  1
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  1
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  1
2014 Jallouk AP, Cummings PT. Audibilization: Data analysis by ear Journal of Chemical Theory and Computation. 10: 1387-1394. DOI: 10.1021/ct401105x  1
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  1
2014 Feng G, Cummings PT. Integrated experimental and computational studies of energy-relevant interfaces Physics Procedia. 53: 32-38. DOI: 10.1016/jphpro.2014.06.022  1
2014 Sallai J, Varga G, Toth S, Iacovella C, Klein C, Mccabe C, Ledeczi A, Cummings PT. Web- And cloud-based software infrastructure for materials design Procedia Computer Science. 29: 2034-2044. DOI: 10.1016/j.procs.2014.05.187  1
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  1
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  1
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  0.68
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  0.68
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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.  1
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.  1
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  0.56
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  0.56
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2012 Feng G, Cummings PT. Capacitance behaviour of supercapacitors based-on carbon nanotube and ionic liquids Aiche 2012 - 2012 Aiche Annual Meeting, Conference Proceedings 0.56
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 0.56
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2011 Singh JK, Docherty H, Cummings PT. Phase transition under confinement Rsc Theoretical and Computational Chemistry Series. 82-108.  1
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  1
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  1
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  1
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  1
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  1
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  1
2010 Glotzer SC, Fuchs AH, Okazaki S, Moore J, Cummings PT. Molecular Simulation: Foreword Molecular Simulation. 36: 1196. DOI: 10.1080/08927022.2010.534898  1
2010 Docherty H, Cummings PT. Direct evidence for fluid-solid transition of nanoconfined fluids Soft Matter. 6: 1640-1643. DOI: 10.1039/c000821d  1
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  1
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  1
2010 Kroon MC, Docherty H, Cummings PT, Peters CJ, Mao WL. Discovery of a new mixed methane-hydrogen hydrate phase with very high hydrogen storage capacity 10aiche - 2010 Aiche Annual Meeting, Conference Proceedings 0.56
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 1
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.  1
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  1
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  1
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  1
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  1
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  1
2009 Kroon MC, Docherty H, Cummings PT, Peters CJ, Witkamp GJ, Mao WL. Novel high capacity hydrogen storage materials based on tetrahydrogenmethane Conference Proceedings - 2009 Aiche Annual Meeting, 09aiche 0.56
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  1
2008 Koparde VN, Cummings PT. Phase transformations during sintering of titania nanoparticles. Acs Nano. 2: 1620-4. PMID 19206364 DOI: 10.1021/nn800092m  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2008 Jeon J, Cummings PT. A hybrid off-lattice cell-based model of tumor growth Aiche Annual Meeting, Conference Proceedings 1
2008 Docherty H, Cummings PT. When nano-confined between mica sheets, does dodecane undergo a phase transition? Aiche Annual Meeting, Conference Proceedings 1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2007 Tao Z, Cummings PT. Molecular dynamics simulation of inorganic ions in PEO aqueous solution Molecular Simulation. 33: 1255-1260. DOI: 10.1080/08927020701697691  1
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  1
2007 Payne CM, Zhao X, Cummings PT. Molecular simulations of DNA transport in solution Molecular Simulation. 33: 399-403. DOI: 10.1080/08927020601154355  1
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  1
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  1
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  1
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  1
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  1
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  1
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 1
2007 Kalyuzhnyi YV, Protsykevitch IA, Cummings PT. Liqud-gas phase behavior of Stockmayer fluid with high dipolar moment Condensed Matter Physics. 10: 553-562.  1
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  1
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  1
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  1
2006 Leng Y, Cummings PT. Shear dynamics of hydration layers. The Journal of Chemical Physics. 125: 104701. PMID 16999542 DOI: 10.1063/1.2335844  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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.  1
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  0.56
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2005 Zhao X, Striolo A, Cummings PT. Interaction between DNA molecules and fullerenes: Molecular dynamics study Aiche Annual Meeting, Conference Proceedings. 11668.  1
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.  1
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.  1
2005 Koparde VN, Cummings PT. Computer simulations of nanoparticle sintering 2005 Nsti Nanotechnology Conference and Trade Show - Nsti Nanotech 2005 Technical Proceedings. 538-541.  1
2005 Vlcek L, Cummings PT. Microscopic structure of the electric double layer at the cassiterite surfaces Aiche Annual Meeting, Conference Proceedings. 1337.  1
2005 Chan ER, Striolo A, McCabe C, Cummings PT, Glotzer SC. Development of coarse-grained force fields for polymer-tethered silsesquioxanes Aiche Annual Meeting, Conference Proceedings. 11432.  1
2005 Redmill PS, Striolo A, McCabe C, Cummings PT. Determining the octanol-water partition coefficient for poss systems Aiche Annual Meeting, Conference Proceedings. 13631.  1
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.  1
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.  1
2005 Pu Q, Leng Y, Cummings PT. Structure and energetics of gold breaking junctions Aiche Annual Meeting, Conference Proceedings. 11150.  1
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.  1
2005 Dyer PJ, Cummings PT. Solvation study using gaussian charges particles and GCPM water model Aiche Annual Meeting, Conference Proceedings. 10208.  1
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.  1
2005 Leng Y, Cummings PT. Viscosity of hydration water under subnanometer confinement between mica surfaces Aiche Annual Meeting, Conference Proceedings. 1124.  1
2005 Koparde VN, Cummings PT. Molecular dynamics simulation of titania nanoparticles Aiche Annual Meeting, Conference Proceedings. 3022-3023.  1
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.  1
2005 Koparde VN, Cummings PT. Molecular dynamics simulation of titania nanoparticles Aiche Annual Meeting, Conference Proceedings. 3022-3023.  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  0.56
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.  1
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  0.56
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  1
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  1
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  1
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  1
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  1
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