| Year |
Citation |
Score |
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
0.01 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
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 |
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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
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 |
0.24 |
|
| 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 |
1 |
|
| 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 |
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 |
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 |
Jallouk AP, Cummings PT. Audibilization: Data Analysis by Ear. Journal of Chemical Theory and Computation. 10: 1387-94. PMID 26580358 DOI: 10.1021/Ct401105X |
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. The Journal of Physical Chemistry Letters. 5: 4260-4. PMID 26273972 DOI: 10.1021/Jz502135F |
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 |
1 |
|
| 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 |
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 |
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 |
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 |
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. The Journal of Physical Chemistry Letters. 4: 887-91. PMID 26291351 DOI: 10.1021/Jz4001104 |
1 |
|
| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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. The Journal of Physical Chemistry Letters. 3: 2465-9. PMID 26292134 DOI: 10.1021/Jz3009387 |
1 |
|
| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 2012 |
Wu C, Skelton AA, Chen M, VlÄek 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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. |
1 |
|
| 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. |
1 |
|
| 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 |
Cummings PT, de Loos TW, O'Connell JP. NIST Editorial Fluid Phase Equilibria. 307: iv. DOI: 10.1016/S0378-3812(11)00285-8 |
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 CO 2 sequestration in geologic formations Acs National Meeting Book of Abstracts. DOI: 10.1080/14786430903559458 |
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. |
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, 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 |
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 |
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| 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 |
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| 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. |
1 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
1 |
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| 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 |
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| 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 |
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| 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 |
McCabe C, Golab JT, Cummings PT. Third Foundations of Molecular Modeling and Simulation conference FOMMS 2006 Molecular Physics. 105: 137. DOI: 10.1080/00268970701227903 |
1 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
1 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
1 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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 |
0.01 |
|
| 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 |
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| 2005 |
Zhao X, Striolo A, Cummings PT. Interaction between DNA molecules and fullerenes: Molecular dynamics study Aiche Annual Meeting, Conference Proceedings. 11668. |
1 |
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| 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 |
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| 2005 |
Cummings PT. Recognition of the 2005 Cache Award for Innovations in Computer-Based Chemical Engineering Education Aiche Annual Meeting, Conference Proceedings. 6237. |
1 |
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| 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 DOI: 10.1103/Physreve.67.011603 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
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 DOI: 10.1103/Physrevlett.88.058302 |
1 |
|
| 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 |
0.01 |
|
| 2002 |
Cummings PT, Jackson G, Rowlinson JS. Keith E. Gubbins: A celebration of statistical mechanics Molecular Physics. 100: 2003-2016. DOI: 10.1080/00268970210142666 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
0.01 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
|
| 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 |
0.01 |
|
| 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 |
1 |
|
| 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 |
0.01 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
0.01 |
|
| 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 |
0.01 |
|
| 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 |
|
| 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 |
1 |
|
| 1996 |
Cummings PT. Molecular dynamics simulation of realistic systems Fluid Phase Equilibria. 116: 237-248. DOI: 10.1016/0378-3812(95)02892-7 |
0.01 |
|
| 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 |
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 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
|
| 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 |
1 |
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