Juan J. de Pablo, Ph.D. - Publications

Affiliations: 
Institute of Molecular Engineering University of Chicago, Chicago, IL 
Area:
polymer
Website:
http://ime.uchicago.edu/de_pablo_lab/people/juan_de_pablo/

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
2021 Rumyantsev AM, Johner A, de Pablo JJ. Sequence Blockiness Controls the Structure of Polyampholyte Necklaces. Acs Macro Letters. 10: 1048-1054. PMID 34476121 DOI: 10.1021/acsmacrolett.1c00318  0.596
2021 Neitzel AE, Fang YN, Yu B, Rumyantsev AM, de Pablo JJ, Tirrell MV. Polyelectrolyte Complex Coacervation across a Broad Range of Charge Densities. Macromolecules. 54: 6878-6890. PMID 34334816 DOI: 10.1021/acs.macromol.1c00703  0.628
2021 Barry E, Burns R, Chen W, De Hoe GX, De Oca JMM, de Pablo JJ, Dombrowski J, Elam JW, Felts AM, Galli G, Hack J, He Q, He X, Hoenig E, Iscen A, et al. Advanced Materials for Energy-Water Systems: The Central Role of Water/Solid Interfaces in Adsorption, Reactivity, and Transport. Chemical Reviews. PMID 34213328 DOI: 10.1021/acs.chemrev.1c00069  0.421
2021 Audus DJ, Ali S, Rumyantsev AM, Ma Y, de Pablo JJ, Prabhu VM. Molecular Mass Dependence of Interfacial Tension in Complex Coacervation. Physical Review Letters. 126: 237801. PMID 34170179 DOI: 10.1103/PhysRevLett.126.237801  0.623
2021 Villada-Gil S, Palacio-Betancur V, Armas-Pérez JC, de Pablo JJ, Hernández-Ortiz JP. Directing the far-from-equilibrium assembly of nanoparticles in confined liquid crystals by hydrodynamic fields. Soft Matter. PMID 33656043 DOI: 10.1039/d0sm02221g  0.749
2021 Sharon D, Bennington P, Webb MA, Deng C, de Pablo JJ, Patel SN, Nealey PF. Molecular Level Differences in Ionic Solvation and Transport Behavior in Ethylene Oxide-Based Homopolymer and Block Copolymer Electrolytes. Journal of the American Chemical Society. PMID 33615794 DOI: 10.1021/jacs.0c12538  0.689
2020 Yu B, Rauscher PM, Jackson NE, Rumyantsev AM, de Pablo JJ. Crossover from Rouse to Reptation Dynamics in Salt-Free Polyelectrolyte Complex Coacervates. Acs Macro Letters. 9: 1318-1324. PMID 35638633 DOI: 10.1021/acsmacrolett.0c00522  0.641
2020 Webb MA, Jackson NE, Gil PS, de Pablo JJ. Targeted sequence design within the coarse-grained polymer genome. Science Advances. 6. PMID 33087352 DOI: 10.1126/sciadv.abc6216  0.621
2020 Sadati M, Martinez-Gonzalez JA, Zhou Y, Qazvini NT, Kurtenbach K, Li X, Bukusoglu E, Zhang R, Abbott NL, Hernandez-Ortiz JP, de Pablo JJ. Prolate and oblate chiral liquid crystal spheroids. Science Advances. 6: eaba6728. PMID 32832603 DOI: 10.1126/Sciadv.Aba6728  0.331
2020 Rauscher PM, Schweizer KS, Rowan SJ, de Pablo JJ. Dynamics of poly[n]catenane melts. The Journal of Chemical Physics. 152: 214901. PMID 32505155 DOI: 10.1063/5.0007573  0.514
2020 Sharon D, Bennington P, Dolejsi M, Webb MA, Dong BX, de Pablo JJ, Nealey PF, Patel SN. Intrinsic Ion Transport Properties of Block Copolymer Electrolytes. Acs Nano. PMID 32496776 DOI: 10.1021/Acsnano.0C03713  0.696
2020 Jin HM, Li X, Dolan JA, Kline RJ, Martínez-González JA, Ren J, Zhou C, de Pablo JJ, Nealey PF. Soft crystal martensites: An in situ resonant soft x-ray scattering study of a liquid crystal martensitic transformation. Science Advances. 6: eaay5986. PMID 32258402 DOI: 10.1126/Sciadv.Aay5986  0.433
2020 Shechter J, Atzin N, Mozaffari A, Zhang R, Zhou Y, Strain B, Oster LM, de Pablo JJ, Ross JL. Direct Observation of Liquid Crystal Droplet Configurational Transitions using Optical Tweezers. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 31990557 DOI: 10.1021/Acs.Langmuir.9B03629  0.307
2020 Palacio-Betancur V, Armas-Pérez JC, Villada-Gil S, Abbott NL, Hernández-Ortiz JP, de Pablo JJ. Cuboidal liquid crystal phases under multiaxial geometrical frustration. Soft Matter. PMID 31938794 DOI: 10.1039/C9Sm02021G  0.747
2019 Rumyantsev AM, Jackson NE, Yu B, Ting JM, Chen W, Tirrell MV, de Pablo JJ. Controlling Complex Coacervation via Random Polyelectrolyte Sequences. Acs Macro Letters. 8: 1296-1302. PMID 35651159 DOI: 10.1021/acsmacrolett.9b00494  0.596
2019 Li X, Martínez-González JA, Guzmán O, Ma X, Park K, Zhou C, Kambe Y, Jin HM, Dolan JA, Nealey PF, de Pablo JJ. Sculpted grain boundaries in soft crystals. Science Advances. 5: eaax9112. PMID 31819903 DOI: 10.1126/Sciadv.Aax9112  0.447
2019 Kambe Y, Arges CG, Czaplewski DA, Dolejsi M, Krishnan S, Stoykovich MP, de Pablo JJ, Nealey PF. Role of Defects in Ion Transport in Block Copolymer Electrolytes. Nano Letters. PMID 31250653 DOI: 10.1021/Acs.Nanolett.9B01758  0.427
2019 Jackson NE, Bowen AS, Antony LW, Webb MA, Vishwanath V, de Pablo JJ. Electronic structure at coarse-grained resolutions from supervised machine learning. Science Advances. 5: eaav1190. PMID 30915396 DOI: 10.1126/Sciadv.Aav1190  0.596
2019 Colón YJ, Guo AZ, Antony LW, Hoffmann KQ, de Pablo JJ. Free energy of metal-organic framework self-assembly. The Journal of Chemical Physics. 150: 104502. PMID 30876355 DOI: 10.1063/1.5063588  0.706
2019 Zhou Y, Senyuk B, Zhang R, Smalyukh II, de Pablo JJ. Degenerate conic anchoring and colloidal elastic dipole-hexadecapole transformations. Nature Communications. 10: 1000. PMID 30824692 DOI: 10.1038/S41467-019-08645-9  0.336
2019 Li X, Martínez-González JA, Park K, Yu C, Zhou Y, de Pablo JJ, Nealey PF. Perfection in Nucleation and Growth of Blue Phase Single Crystals: Small Free Energy Required to Self-Assemble at Specific Lattice Orientation. Acs Applied Materials & Interfaces. PMID 30763069 DOI: 10.1021/Acsami.8B18078  0.463
2019 Villada S, Palacio-Betancur V, Armas-Perez JC, de Pablo J, Hernandez-Ortiz JP. Fluctuations and phase transitions of uniaxial and biaxial liquid crystals using a theoretically informed Monte Carlo and a Landau free energy density. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 30703761 DOI: 10.1088/1361-648X/Ab0394  0.757
2018 Webb MA, Delannoy JP, de Pablo JJ. A Graph-based Approach to Systematic Molecular Coarse-graining. Journal of Chemical Theory and Computation. PMID 30557028 DOI: 10.1021/Acs.Jctc.8B00920  0.585
2018 Kumar N, Zhang R, de Pablo JJ, Gardel ML. Tunable structure and dynamics of active liquid crystals. Science Advances. 4: eaat7779. PMID 30333990 DOI: 10.1126/Sciadv.Aat7779  0.317
2018 Hur SM, Thapar V, Ramírez-Hernández A, Nealey PF, de Pablo JJ. Defect Annihilation Pathways in Directed Assembly of Lamellar Block Copolymer Thin Films. Acs Nano. PMID 30226748 DOI: 10.1021/Acsnano.8B04202  0.492
2018 Jackson NE, Webb MA, de Pablo JJ. Layered nested Markov chain Monte Carlo. The Journal of Chemical Physics. 149: 072326. PMID 30134725 DOI: 10.1063/1.5030531  0.617
2018 Hannon AF, Sunday DF, Bowen A, Khaira G, Ren J, Nealey PF, de Pablo JJ, Kline RJ. Optimizing self-consistent field theory block copolymer models with X-ray metrology. Molecular Systems Design & Engineering. 3: 376-389. PMID 29892480 DOI: 10.1039/C7ME00098G  0.459
2018 Wu Q, Zhao D, Goldey MB, Filatov AS, Sharapov V, Colon YJ, Cai Z, Chen W, de Pablo JJ, Galli G, Yu L. Intra-molecular Charge Transfer and Electron Delocalization in Non-Fullerene Organic Solar Cells. Acs Applied Materials & Interfaces. PMID 29498504 DOI: 10.1021/Acsami.7B18717  0.693
2018 Sidky H, Colón YJ, Helfferich J, Sikora BJ, Bezik C, Chu W, Giberti F, Guo AZ, Jiang X, Lequieu J, Li J, Moller J, Quevillon MJ, Rahimi M, Ramezani-Dakhel H, ... ... de Pablo JJ, et al. SSAGES: Software Suite for Advanced General Ensemble Simulations. The Journal of Chemical Physics. 148: 044104. PMID 29390830 DOI: 10.1063/1.5008853  0.786
2017 Ramírez-Hernández A, Hur SM, Armas-Pérez JC, Cruz MO, De Pablo JJ. Demixing by a Nematic Mean Field: Coarse-Grained Simulations of Liquid Crystalline Polymers. Polymers. 9. PMID 30970766 DOI: 10.3390/Polym9030088  0.768
2017 Zhang R, Kumar N, Ross JL, Gardel ML, de Pablo JJ. Interplay of structure, elasticity, and dynamics in actin-based nematic materials. Proceedings of the National Academy of Sciences of the United States of America. PMID 29284753 DOI: 10.1073/Pnas.1713832115  0.338
2017 Armas-Pérez JC, Li X, Martínez-González JA, Smith C, Hernandez-Ortiz JP, Nealey PF, de Pablo JJ. Sharp morphological transitions from nanoscale mixed-anchoring patterns in confined nematic liquid crystals. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28946745 DOI: 10.1021/Acs.Langmuir.7B02522  0.781
2017 Li X, Martínez-González JA, Hernández-Ortiz JP, Ramírez-Hernández A, Zhou Y, Sadati M, Zhang R, Nealey PF, de Pablo JJ. Mesoscale martensitic transformation in single crystals of topological defects. Proceedings of the National Academy of Sciences of the United States of America. PMID 28874557 DOI: 10.1073/Pnas.1711207114  0.502
2017 Wang X, Zhou Y, Kim YK, Miller DS, Zhang R, Martinez-Gonzalez JA, Bukusoglu E, Zhang B, Brown TM, de Pablo JJ, Abbott NL. Patterned surface anchoring of nematic droplets at miscible liquid-liquid interfaces. Soft Matter. PMID 28752888 DOI: 10.1039/C7Sm00975E  0.318
2017 Martínez-González JA, Li X, Sadati M, Zhou Y, Zhang R, Nealey PF, de Pablo JJ. Directed self-assembly of liquid crystalline blue-phases into ideal single-crystals. Nature Communications. 8: 15854. PMID 28621314 DOI: 10.1038/Ncomms15854  0.504
2017 Li X, Armas-Pérez JC, Hernández-Ortíz JP, Arges CG, Liu X, Martínez-González JA, Ocola LE, Bishop C, Xie H, de Pablo JJ, Nealey PF. Directed Self-Assembly of Colloidal Particles onto Nematic Liquid Crystalline Defects Engineered by Chemically Patterned Surfaces. Acs Nano. PMID 28605183 DOI: 10.1021/Acsnano.7B03641  0.779
2017 Rahimi M, Ramezani-Dakhel H, Zhang R, Ramirez-Hernandez A, Abbott NL, de Pablo JJ. Segregation of liquid crystal mixtures in topological defects. Nature Communications. 8: 15064. PMID 28452347 DOI: 10.1038/Ncomms15064  0.332
2017 Córdoba A, Hinckley DM, Lequieu J, de Pablo JJ. A Molecular View of the Dynamics of dsDNA Packing Inside Viral Capsids in the Presence of Ions. Biophysical Journal. 112: 1302-1315. PMID 28402874 DOI: 10.1016/J.Bpj.2017.02.015  0.764
2017 Sadati M, Ramezani-Dakhel H, Bu W, Sevgen E, Liang Z, Erol C, Rahimi M, Taheri Qazvini N, Lin B, Abbott NL, Roux B, Schlossman ML, de Pablo JJ. Molecular Structure of Canonical Liquid Crystal Interfaces. Journal of the American Chemical Society. PMID 28177227 DOI: 10.1021/Jacs.7B00167  0.796
2017 Ramírez-Hernández A, Peters BL, Schneider L, Andreev M, Schieber JD, Müller M, de Pablo JJ. A multi-chain polymer slip-spring model with fluctuating number of entanglements: Density fluctuations, confinement, and phase separation. The Journal of Chemical Physics. 146: 014903. PMID 28063448 DOI: 10.1063/1.4972582  0.605
2016 Tchoua RB, Chard K, Audus D, Qin J, de Pablo J, Foster I. A Hybrid Human-Computer Approach to the Extraction of Scientific Facts from the Literature. Procedia Computer Science. 80: 386-397. PMID 28649288 DOI: 10.1016/j.procs.2016.05.338  0.347
2016 Segal-Peretz T, Ren J, Xiong S, Khaira G, Bowen A, Ocola LE, Divan R, Doxastakis M, Ferrier NJ, de Pablo JJ, Nealey PF. Quantitative Three Dimensional Characterization of Block Copolymer Directed Self -Assembly on Combined Chemical and Topographical Pre-Patterned Templates. Acs Nano. PMID 28005329 DOI: 10.1021/Acsnano.6B05657  0.72
2016 Tchoua RB, Qin J, Audus DJ, Chard K, Foster IT, de Pablo J. Blending Education and Polymer Science: Semi Automated Creation of a Thermodynamic Property Database. Journal of Chemical Education. 93: 1561-1568. PMID 27795574 DOI: 10.1021/Acs.Jchemed.5B01032  0.349
2016 Qin J, de Pablo JJ, Freed KF. Image method for induced surface charge from many-body system of dielectric spheres. The Journal of Chemical Physics. 145: 124903. PMID 27782617 DOI: 10.1063/1.4962832  0.38
2016 Lequieu J, Córdoba A, Hinckley D, de Pablo JJ. Mechanical Response of DNA-Nanoparticle Crystals to Controlled Deformation. Acs Central Science. 2: 614-620. PMID 27725959 DOI: 10.1021/Acscentsci.6B00170  0.756
2016 Li X, Armas-Perez JC, Martinez-Gonzalez JA, Liu X, Xie H, Bishop C, Hernandez-Ortiz JP, Zhang R, de Pablo JJ, Nealey PF. Directed self-assembly of nematic liquid crystals on chemically patterned surfaces: morphological states and transitions. Soft Matter. PMID 27722676 DOI: 10.1039/C6Sm01733A  0.795
2016 Zhou Y, Guo A, Zhang R, Armas-Perez JC, Martínez-González JA, Rahimi M, Sadati M, de Pablo JJ. Mesoscale structure of chiral nematic shells. Soft Matter. PMID 27722420 DOI: 10.1039/C6Sm01284A  0.743
2016 Zhou Y, Bukusoglu E, Martinez-Gonzalez JA, Rahimi M, Roberts TF, Zhang R, Wang X, Abbott NL, de Pablo JJ. Structural Transitions in Cholesteric Liquid Crystal Droplets. Acs Nano. PMID 27249186 DOI: 10.1021/Acsnano.6B01088  0.352
2016 Qin J, Li J, Lee V, Jaeger H, de Pablo JJ, Freed KF. A theory of interactions between polarizable dielectric spheres. Journal of Colloid and Interface Science. 469: 237-241. PMID 26896771 DOI: 10.1016/J.Jcis.2016.02.033  0.365
2015 Armas-Pérez JC, Hernández-Ortiz JP, de Pablo JJ. Liquid crystal free energy relaxation by a theoretically informed Monte Carlo method using a finite element quadrature approach. The Journal of Chemical Physics. 143: 243157. PMID 26723642 DOI: 10.1063/1.4937628  0.752
2015 Ramírez-Hernández A, Peters BL, Andreev M, Schieber JD, de Pablo JJ. A multichain polymer slip-spring model with fluctuating number of entanglements for linear and nonlinear rheology. The Journal of Chemical Physics. 143: 243147. PMID 26723632 DOI: 10.1063/1.4936878  0.603
2015 Hinckley DM, de Pablo JJ. Coarse-Grained Ions for Nucleic Acid Modeling. Journal of Chemical Theory and Computation. 11: 5436-46. PMID 26574332 DOI: 10.1021/Acs.Jctc.5B00341  0.752
2015 Hur SM, Thapar V, Ramírez-Hernández A, Khaira G, Segal-Peretz T, Rincon-Delgadillo PA, Li W, Müller M, Nealey PF, de Pablo JJ. Molecular pathways for defect annihilation in directed self-assembly. Proceedings of the National Academy of Sciences of the United States of America. 112: 14144-9. PMID 26515095 DOI: 10.1073/Pnas.1508225112  0.467
2015 Armas-Pérez JC, Londono-Hurtado A, Guzmán O, Hernández-Ortiz JP, de Pablo JJ. Theoretically informed Monte Carlo simulation of liquid crystals by sampling of alignment-tensor fields. The Journal of Chemical Physics. 143: 044107. PMID 26233107 DOI: 10.1063/1.4926790  0.753
2015 Whitmer JK, Fluitt AM, Antony L, Qin J, McGovern M, de Pablo JJ. Sculpting bespoke mountains: Determining free energies with basis expansions. The Journal of Chemical Physics. 143: 044101. PMID 26233101 DOI: 10.1063/1.4927147  0.4
2015 Londoño-Hurtado A, Armas-Pérez JC, Hernández-Ortiz JP, de Pablo JJ. Homeotropic nano-particle assembly on degenerate planar nematic interfaces: films and droplets. Soft Matter. 11: 5067-76. PMID 26027806 DOI: 10.1039/C5Sm00940E  0.75
2015 Segal-Peretz T, Winterstein J, Doxastakis M, Ramírez-Hernández A, Biswas M, Ren J, Suh HS, Darling SB, Liddle JA, Elam JW, de Pablo JJ, Zaluzec NJ, Nealey PF. Characterizing the Three-Dimensional Structure of Block Copolymers via Sequential Infiltration Synthesis and Scanning Transmission Electron Tomography. Acs Nano. 9: 5333-47. PMID 25919347 DOI: 10.1021/Acsnano.5B01013  0.709
2015 Rahimi M, Roberts TF, Armas-Pérez JC, Wang X, Bukusoglu E, Abbott NL, de Pablo JJ. Nanoparticle self-assembly at the interface of liquid crystal droplets. Proceedings of the National Academy of Sciences of the United States of America. 112: 5297-302. PMID 25870304 DOI: 10.1073/Pnas.1422785112  0.753
2015 Lequieu JP, Hinckley DM, de Pablo JJ. A molecular view of DNA-conjugated nanoparticle association energies. Soft Matter. 11: 1919-29. PMID 25611690 DOI: 10.1039/C4Sm02573C  0.766
2015 Perry SL, Leon L, Hoffmann KQ, Kade MJ, Priftis D, Black KA, Wong D, Klein RA, Pierce CF, Margossian KO, Whitmer JK, Qin J, de Pablo JJ, Tirrell M. Chirality-selected phase behaviour in ionic polypeptide complexes. Nature Communications. 6: 6052. PMID 25586861 DOI: 10.1038/Ncomms7052  0.371
2015 Garner G, Williamson L, Seidel R, Rincon Delgadillo P, Hur SM, Gronheid R, Nealey PF, De Pablo JJ. The effects of geometry and chemistry of nanopatterned substrates on the directed self-assembly of block-copolymer melts Proceedings of Spie - the International Society For Optical Engineering. 9423. DOI: 10.1117/12.2085987  0.447
2015 Doxastakis M, Suh HS, Chen X, Rincon Delgadillo PA, Wan L, Williamson L, Jiang Z, Strzalka J, Wang J, Chen W, Ferrier N, Ramirez-Hernandez A, De Pablo JJ, Gronheid R, Nealey P. Grazing-incidence small angle x-ray scattering studies of nanoscale polymer gratings Proceedings of Spie - the International Society For Optical Engineering. 9424. DOI: 10.1117/12.2085824  0.704
2015 Lequieu JP, Hinckley DM, De Pablo JJ. A molecular view of DNA-conjugated nanoparticle association energies Soft Matter. 11: 1919-1929. DOI: 10.1039/c4sm02573c  0.745
2015 Hur SM, Khaira GS, Ramírez-Hernández A, Müller M, Nealey PF, De Pablo JJ. Simulation of defect reduction in block copolymer thin films by solvent annealing Acs Macro Letters. 4: 11-15. DOI: 10.1021/Mz500705Q  0.495
2015 Hur SM, Onses MS, Ramírez-Hernández A, Nealey PF, Rogers JA, De Pablo JJ. Interplay of Surface Energy and Bulk Thermodynamic Forces in Ordered Block Copolymer Droplets Macromolecules. 48: 4717-4723. DOI: 10.1021/Acs.Macromol.5B00630  0.494
2015 Cicerone MT, Averett D, De Pablo JJ. The role of hopping on transport above Tc in glycerol Journal of Non-Crystalline Solids. 407: 118-125. DOI: 10.1016/J.Jnoncrysol.2014.09.004  0.779
2014 Hur SM, Khaira GS, Ramírez-Hernández A, Müller M, Nealey PF, de Pablo JJ. Simulation of Defect Reduction in Block Copolymer Thin Films by Solvent Annealing. Acs Macro Letters. 4: 11-15. PMID 35596395 DOI: 10.1021/mz500705q  0.495
2014 Qin J, Priftis D, Farina R, Perry SL, Leon L, Whitmer J, Hoffmann K, Tirrell M, de Pablo JJ. Interfacial Tension of Polyelectrolyte Complex Coacervate Phases. Acs Macro Letters. 3: 565-568. PMID 35590728 DOI: 10.1021/mz500190w  0.401
2014 Khaira GS, Qin J, Garner GP, Xiong S, Wan L, Ruiz R, Jaeger HM, Nealey PF, de Pablo JJ. Evolutionary Optimization of Directed Self-Assembly of Triblock Copolymers on Chemically Patterned Substrates. Acs Macro Letters. 3: 747-752. PMID 35590693 DOI: 10.1021/mz5002349  0.554
2014 Freeman GS, Hinckley DM, Lequieu JP, Whitmer JK, de Pablo JJ. Coarse-grained modeling of DNA curvature. The Journal of Chemical Physics. 141: 165103. PMID 25362344 DOI: 10.1063/1.4897649  0.761
2014 Li W, Nealey PF, de Pablo JJ, Müller M. Defect removal in the course of directed self-assembly is facilitated in the vicinity of the order-disorder transition. Physical Review Letters. 113: 168301. PMID 25361283 DOI: 10.1103/Physrevlett.113.168301  0.451
2014 Freeman GS, Lequieu JP, Hinckley DM, Whitmer JK, De Pablo JJ. DNA shape dominates sequence affinity in nucleosome formation Physical Review Letters. 113. PMID 25361282 DOI: 10.1103/Physrevlett.113.168101  0.749
2014 Hinckley DM, Lequieu JP, de Pablo JJ. Coarse-grained modeling of DNA oligomer hybridization: length, sequence, and salt effects. The Journal of Chemical Physics. 141: 035102. PMID 25053341 DOI: 10.1063/1.4886336  0.754
2014 Onses MS, Ramírez-Hernández A, Hur SM, Sutanto E, Williamson L, Alleyne AG, Nealey PF, de Pablo JJ, Rogers JA. Block copolymer assembly on nanoscale patterns of polymer brushes formed by electrohydrodynamic jet printing. Acs Nano. 8: 6606-13. PMID 24882265 DOI: 10.1021/Nn5022605  0.481
2014 Seidel R, Delgadillo PR, Ramirez-Hernandez A, Wu H, Her Y, Yin J, Nealey P, De Pablo J, Gronheid R. Investigation of cross-linking poly(methyl methacrylate) as a guiding material in block copolymer directed self-assembly Proceedings of Spie - the International Society For Optical Engineering. 9051. DOI: 10.1117/12.2048179  0.462
2014 Freeman GS, Hinckley DM, Lequieu JP, Whitmer JK, De Pablo JJ. Coarse-grained modeling of DNA curvature Journal of Chemical Physics. 141. DOI: 10.1063/1.4897649  0.736
2014 Hinckley DM, Lequieu JP, De Pablo JJ. Coarse-grained modeling of DNA oligomer hybridization: Length, sequence, and salt effects Journal of Chemical Physics. 141. DOI: 10.1063/1.4886336  0.743
2014 Khaira GS, Qin J, Garner GP, Xiong S, Wan L, Ruiz R, Jaeger HM, Nealey PF, De Pablo JJ. Evolutionary optimization of directed self-assembly of triblock copolymers on chemically patterned substrates Acs Macro Letters. 3: 747-752. DOI: 10.1021/Mz5002349  0.541
2014 Qin J, Priftis D, Farina R, Perry SL, Leon L, Whitmer J, Hoffmann K, Tirrell M, De Pablo JJ. Interfacial tension of polyelectrolyte complex coacervate phases Acs Macro Letters. 3: 565-568. DOI: 10.1021/Mz500190W  0.393
2014 Ramírez-Hernández A, Suh HS, Nealey PF, De Pablo JJ. Control of directed self-assembly in block polymers by polymeric topcoats Macromolecules. 47: 3520-3527. DOI: 10.1021/Ma500411Q  0.474
2014 Priftis D, Xia X, Margossian KO, Perry SL, Leon L, Qin J, De Pablo JJ, Tirrell M. Ternary, tunable polyelectrolyte complex fluids driven by complex coacervation Macromolecules. 47: 3076-3085. DOI: 10.1021/Ma500245J  0.348
2013 Hinckley DM, Freeman GS, Whitmer JK, De Pablo JJ. An experimentally-informed coarse-grained 3-site-per-nucleotide model of DNA: Structure, thermodynamics, and dynamics of hybridization Journal of Chemical Physics. 139. PMID 24116642 DOI: 10.1063/1.4822042  0.772
2013 Chiu CC, Singh S, De Pablo JJ. Effect of proline mutations on the monomer conformations of amylin Biophysical Journal. 105: 1227-1235. PMID 24010666 DOI: 10.1016/J.Bpj.2013.07.029  0.551
2013 Singh S, Chiu CC, Reddy AS, de Pablo JJ. α-helix to β-hairpin transition of human amylin monomer. The Journal of Chemical Physics. 138: 155101. PMID 23614446 DOI: 10.1063/1.4798460  0.711
2013 Singh S, Ediger MD, de Pablo JJ. Ultrastable glasses from in silico vapour deposition. Nature Materials. 12: 139-44. PMID 23291708 DOI: 10.1038/Nmat3521  0.582
2013 Yoshida H, Suh HS, Ramírez-Hernández A, Lee JI, Aida K, Wan L, Ishida Y, Tada Y, Ruiz R, de Pablo J, Nealey PF. Topcoat approaches for directed self-assembly of strongly segregating block copolymer thin films Journal of Photopolymer Science and Technology. 26: 55-58. DOI: 10.2494/Photopolymer.26.55  0.417
2013 Qin J, Khaira GS, Su Y, Garner GP, Miskin M, Jaeger HM, De Pablo JJ. Evolutionary pattern design for copolymer directed self-assembly Soft Matter. 9: 11467-11472. DOI: 10.1039/C3Sm51971F  0.367
2013 Ramírez-Hernández A, Detcheverry FA, Peters BL, Chappa VC, Schweizer KS, Müller M, De Pablo JJ. Dynamical simulations of coarse grain polymeric systems: Rouse and entangled dynamics Macromolecules. 46: 6287-6299. DOI: 10.1021/Ma400526V  0.502
2013 Liu CC, Ramírez-Hernández A, Han E, Craig GSW, Tada Y, Yoshida H, Kang H, Ji S, Gopalan P, De Pablo JJ, Nealey PF. Chemical patterns for directed self-assembly of lamellae-forming block copolymers with density multiplication of features Macromolecules. 46: 1415-1424. DOI: 10.1021/Ma302464N  0.44
2012 Nagpal U, Müller M, Nealey PF, de Pablo JJ. Free Energy of Defects in Ordered Assemblies of Block Copolymer Domains. Acs Macro Letters. 1: 418-422. PMID 35578514 DOI: 10.1021/mz200245s  0.791
2012 Singh S, Chiu CC, de Pablo JJ. Efficient Free Energy Calculation of Biomolecules from Diffusion-Biased Molecular Dynamics. Journal of Chemical Theory and Computation. 8: 4657-4662. PMID 26605621 DOI: 10.1021/Ct3003755  0.598
2012 Azarin SM, Larson EA, Almodóvar-Cruz JM, de Pablo JJ, Palecek SP. Effects of 3D microwell culture on growth kinetics and metabolism of human embryonic stem cells. Biotechnology and Applied Biochemistry. 59: 88-96. PMID 23586789 DOI: 10.1002/Bab.1003  0.613
2012 Shekhar R, Whitmer JK, Malshe R, Moreno-Razo JA, Roberts TF, de Pablo JJ. Isotropic-nematic phase transition in the Lebwohl-Lasher model from density of states simulations. The Journal of Chemical Physics. 136: 234503. PMID 22779602 DOI: 10.1063/1.4722209  0.8
2012 Ji S, Nagpal U, Liu G, Delcambre SP, Müller M, de Pablo JJ, Nealey PF. Directed assembly of non-equilibrium ABA triblock copolymer morphologies on nanopatterned substrates. Acs Nano. 6: 5440-8. PMID 22559146 DOI: 10.1021/Nn301306V  0.791
2012 Middleton CT, Marek P, Cao P, Chiu CC, Singh S, Woys AM, de Pablo JJ, Raleigh DP, Zanni MT. Two-dimensional infrared spectroscopy reveals the complex behaviour of an amyloid fibril inhibitor. Nature Chemistry. 4: 355-60. PMID 22522254 DOI: 10.1038/Nchem.1293  0.526
2012 Singh S, Chopra M, de Pablo JJ. Density of states-based molecular simulations. Annual Review of Chemical and Biomolecular Engineering. 3: 369-94. PMID 22483263 DOI: 10.1146/Annurev-Chembioeng-062011-081032  0.562
2012 Liu G, Ramírez-Hernández A, Yoshida H, Nygård K, Satapathy DK, Bunk O, de Pablo JJ, Nealey PF. Morphology of lamellae-forming block copolymer films between two orthogonal chemically nanopatterned striped surfaces. Physical Review Letters. 108: 065502. PMID 22401084 DOI: 10.1103/Physrevlett.108.065502  0.468
2012 Azarin SM, Lian X, Larson EA, Popelka HM, de Pablo JJ, Palecek SP. Modulation of Wnt/β-catenin signaling in human embryonic stem cells using a 3-D microwell array. Biomaterials. 33: 2041-9. PMID 22177620 DOI: 10.1016/J.Biomaterials.2011.11.070  0.688
2012 Yoshimoto K, Peters BL, Khaira GS, De Pablo JJ. Scalable simulations for directed self-assembly patterning with the use of GPU parallel computing Proceedings of Spie - the International Society For Optical Engineering. 8323. DOI: 10.1117/12.917830  0.478
2012 Liu G, Ramírez-Hernández A, Yoshida H, Nygård K, Satapathy DK, Bunk O, De Pablo JJ, Nealey PF. Morphology of lamellae-forming block copolymer films between two orthogonal chemically nanopatterned striped surfaces Physical Review Letters. 108. DOI: 10.1103/PhysRevLett.108.065502  0.422
2012 Averett D, Cicerone MT, Douglas JF, De Pablo JJ. Fast relaxation and elasticity-related properties of trehalose-glycerol mixtures Soft Matter. 8: 4936-4945. DOI: 10.1039/C2Sm25095K  0.799
2012 Karayiannis NC, Malshe R, Kröger M, De Pablo JJ, Laso M. Evolution of fivefold local symmetry during crystal nucleation and growth in dense hard-sphere packings Soft Matter. 8: 844-858. DOI: 10.1039/C1Sm06540H  0.799
2012 Nagpal U, Müller M, Nealey PF, De Pablo JJ. Free energy of defects in ordered assemblies of block copolymer domains Acs Macro Letters. 1: 418-422. DOI: 10.1021/Mz200245S  0.793
2012 Peters BL, Ramírez-Hernández A, Pike DQ, Müller M, De Pablo JJ. Nonequilibrium simulations of lamellae forming block copolymers under steady shear: A comparison of dissipative particle dynamics and Brownian dynamics Macromolecules. 45: 8109-8116. DOI: 10.1021/Ma301541F  0.803
2012 Toepperwein GN, Schweizer KS, Riggleman RA, De Pablo JJ. Heterogeneous segmental dynamics during creep and constant strain rate deformations of rod-containing polymer nanocomposites Macromolecules. 45: 8467-8481. DOI: 10.1021/Ma301501Z  0.8
2012 Liu G, Detcheverry F, Ramírez-Hernández A, Yoshida H, Tada Y, De Pablo JJ, Nealey PF. Nonbulk complex structures in thin films of symmetric block copolymers on chemically nanopatterned surfaces Macromolecules. 45: 3986-3992. DOI: 10.1021/Ma202777S  0.447
2012 Ramírez-Hernández A, Liu G, Nealey PF, De Pablo JJ. Symmetric diblock copolymers confined by two nanopatterned surfaces Macromolecules. 45: 2588-2596. DOI: 10.1021/Ma2026594  0.486
2012 Toepperwein GN, Riggleman RA, De Pablo JJ. Dynamics and deformation response of rod-containing nanocomposites Macromolecules. 45: 543-554. DOI: 10.1021/Ma2017277  0.802
2011 Freeman GS, Hinckley DM, de Pablo JJ. A coarse-grain three-site-per-nucleotide model for DNA with explicit ions. The Journal of Chemical Physics. 135: 165104. PMID 22047269 DOI: 10.1063/1.3652956  0.759
2011 Pike DQ, Müller M, de Pablo JJ. Monte-Carlo simulation of ternary blends of block copolymers and homopolymers. The Journal of Chemical Physics. 135: 114904. PMID 21950884 DOI: 10.1063/1.3638175  0.797
2011 Wang L, Middleton CT, Singh S, Reddy AS, Woys AM, Strasfeld DB, Marek P, Raleigh DP, de Pablo JJ, Zanni MT, Skinner JL. 2DIR spectroscopy of human amylin fibrils reflects stable β-sheet structure. Journal of the American Chemical Society. 133: 16062-71. PMID 21916515 DOI: 10.1021/Ja204035K  0.705
2011 Karayiannis NCh, Malshe R, de Pablo JJ, Laso M. Fivefold symmetry as an inhibitor to hard-sphere crystallization. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 83: 061505. PMID 21797370 DOI: 10.1103/Physreve.83.061505  0.787
2011 Ji S, Nagpal U, Liao W, Liu CC, de Pablo JJ, Nealey PF. Three-dimensional directed assembly of block copolymers together with two-dimensional square and rectangular nanolithography. Advanced Materials (Deerfield Beach, Fla.). 23: 3692-7. PMID 21735489 DOI: 10.1002/Adma.201101813  0.789
2011 Nagpal U, Kang H, Craig GS, Nealey PF, de Pablo JJ. Pattern dimensions and feature shapes of ternary blends of block copolymer and low molecular weight homopolymers directed to assemble on chemically nanopatterned surfaces. Acs Nano. 5: 5673-82. PMID 21661763 DOI: 10.1021/Nn201335V  0.793
2011 Singh S, de Pablo JJ. A molecular view of vapor deposited glasses. The Journal of Chemical Physics. 134: 194903. PMID 21599084 DOI: 10.1063/1.3586805  0.592
2011 Malshe R, Ediger MD, Yu L, de Pablo JJ. Evolution of glassy gratings with variable aspect ratios under surface diffusion. The Journal of Chemical Physics. 134: 194704. PMID 21599079 DOI: 10.1063/1.3573903  0.78
2011 Hernández-Ortiz JP, Gettelfinger BT, Moreno-Razo J, de Pablo JJ. Modeling flows of confined nematic liquid crystals. The Journal of Chemical Physics. 134: 134905. PMID 21476772 DOI: 10.1063/1.3567098  0.784
2011 Izmitli A, Schebor C, McGovern MP, Reddy AS, Abbott NL, de Pablo JJ. Effect of trehalose on the interaction of Alzheimer's Aβ-peptide and anionic lipid monolayers. Biochimica Et Biophysica Acta. 1808: 26-33. PMID 20920466 DOI: 10.1016/J.Bbamem.2010.09.024  0.548
2011 Singh S, Chiu Cc, de Pablo JJ. Flux Tempered Metadynamics Journal of Statistical Physics. 145: 932-945. DOI: 10.1007/S10955-011-0301-0  0.591
2010 Stuen KO, Detcheverry FA, Craig GS, Thomas CS, Farrell RA, Morris MA, de Pablo JJ, Nealey PF. Graphoepitaxial assembly of asymmetric ternary blends of block copolymers and homopolymers. Nanotechnology. 21: 495301. PMID 21071827 DOI: 10.1088/0957-4484/21/49/495301  0.474
2010 Reddy AS, Wang L, Singh S, Ling YL, Buchanan L, Zanni MT, Skinner JL, de Pablo JJ. Stable and metastable states of human amylin in solution. Biophysical Journal. 99: 2208-16. PMID 20923655 DOI: 10.1016/J.Bpj.2010.07.014  0.703
2010 Reddy AS, Chopra M, de Pablo JJ. GNNQQNY--investigation of early steps during amyloid formation. Biophysical Journal. 98: 1038-45. PMID 20303861 DOI: 10.1016/J.Bpj.2009.10.057  0.558
2010 Detcheverry FA, Pike DQ, Nealey PF, Müller M, de Pablo JJ. Simulations of theoretically informed coarse grain models of polymeric systems. Faraday Discussions. 144: 111-25; discussion 2. PMID 20158025 DOI: 10.1039/B902283J  0.809
2010 Reddy AS, Wang L, Lin YS, Ling Y, Chopra M, Zanni MT, Skinner JL, De Pablo JJ. Solution structures of rat amylin peptide: simulation, theory, and experiment. Biophysical Journal. 98: 443-51. PMID 20141758 DOI: 10.1016/J.Bpj.2009.10.029  0.577
2010 Woys AM, Lin YS, Reddy AS, Xiong W, de Pablo JJ, Skinner JL, Zanni MT. 2D IR line shapes probe ovispirin peptide conformation and depth in lipid bilayers. Journal of the American Chemical Society. 132: 2832-8. PMID 20136132 DOI: 10.1021/Ja9101776  0.563
2010 Mohr JC, Zhang J, Azarin SM, Soerens AG, de Pablo JJ, Thomson JA, Lyons GE, Palecek SP, Kamp TJ. The microwell control of embryoid body size in order to regulate cardiac differentiation of human embryonic stem cells. Biomaterials. 31: 1885-93. PMID 19945747 DOI: 10.1016/J.Biomaterials.2009.11.033  0.769
2010 Metallo CM, Ji L, de Pablo JJ, Palecek SP. Directed differentiation of human embryonic stem cells to epidermal progenitors. Methods in Molecular Biology (Clifton, N.J.). 585: 83-92. PMID 19907998 DOI: 10.1007/978-1-60761-380-0_7  0.509
2010 Metallo CM, Azarin SM, Moses LE, Ji L, de Pablo JJ, Palecek SP. Human embryonic stem cell-derived keratinocytes exhibit an epidermal transcription program and undergo epithelial morphogenesis in engineered tissue constructs. Tissue Engineering. Part A. 16: 213-23. PMID 19686061 DOI: 10.1089/Ten.Tea.2009.0325  0.727
2009 Yin DW, Olvera De La Cruz M, De Pablo JJ. Swelling and collapse of polyelectrolyte gels in equilibrium with monovalent and divalent electrolyte solutions Journal of Chemical Physics. 131. PMID 19929076 DOI: 10.1063/1.3264950  0.542
2009 Reddy AS, Izmitli A, de Pablo JJ. Effect of trehalose on amyloid beta (29-40)-membrane interaction. The Journal of Chemical Physics. 131: 085101. PMID 19725634 DOI: 10.1063/1.3193726  0.518
2009 Pike DQ, Detcheverry FA, Müller M, de Pablo JJ. Theoretically informed coarse grain simulations of polymeric systems. The Journal of Chemical Physics. 131: 084903. PMID 19725633 DOI: 10.1063/1.3187936  0.813
2009 Jo K, Chen YL, de Pablo JJ, Schwartz DC. Elongation and migration of single DNA molecules in microchannels using oscillatory shear flows. Lab On a Chip. 9: 2348-55. PMID 19636466 DOI: 10.1039/B902292A  0.394
2009 Riggleman RA, Toepperwein G, Papakonstantopoulos GJ, Barrat JL, de Pablo JJ. Entanglement network in nanoparticle reinforced polymers. The Journal of Chemical Physics. 130: 244903. PMID 19566177 DOI: 10.1063/1.3148026  0.78
2009 Detcheverry FA, Pike DQ, Nealey PF, Müller M, de Pablo JJ. Monte carlo simulation of coarse grain polymeric systems. Physical Review Letters. 102: 197801. PMID 19518996 DOI: 10.1103/Physrevlett.102.197801  0.809
2009 Miller CA, Gellman SH, Abbott NL, de Pablo JJ. Association of helical beta-peptides and their aggregation behavior from the potential of mean force in explicit solvent. Biophysical Journal. 96: 4349-62. PMID 19486660 DOI: 10.1016/J.Bpj.2008.11.076  0.486
2009 Miller CA, Abbott NL, de Pablo JJ. Surface activity of amphiphilic helical beta-peptides from molecular dynamics simulation. Langmuir : the Acs Journal of Surfaces and Colloids. 25: 2811-23. PMID 19437698 DOI: 10.1021/La802973E  0.472
2009 Rastogi A, Toepperwein GN, Tanaka M, Riggleman RA, De Pablo JJ, Ober CK. Contact analysis studies of an ESCAP resist with ScCO2 compatible additives Proceedings of Spie - the International Society For Optical Engineering. 7273. DOI: 10.1117/12.813814  0.78
2008 Yin DW, Horkay F, Douglas JF, de Pablo JJ. Molecular simulation of the swelling of polyelectrolyte gels by monovalent and divalent counterions. The Journal of Chemical Physics. 129: 154902. PMID 19045224 DOI: 10.1063/1.2991179  0.576
2008 Chopra M, Reddy AS, Abbott NL, de Pablo JJ. Folding of polyglutamine chains. The Journal of Chemical Physics. 129: 135102. PMID 19045125 DOI: 10.1063/1.2980043  0.571
2008 Ruiz R, Kang H, Detcheverry FA, Dobisz E, Kercher DS, Albrecht TR, de Pablo JJ, Nealey PF. Density multiplication and improved lithography by directed block copolymer assembly. Science (New York, N.Y.). 321: 936-9. PMID 18703735 DOI: 10.1126/science.1157626  0.465
2008 Mastny EA, Miller CA, de Pablo JJ. The effect of the water/methane interface on methane hydrate cages: the potential of mean force and cage lifetimes. The Journal of Chemical Physics. 129: 034701. PMID 18647032 DOI: 10.1063/1.2925680  0.768
2008 Miller CA, Hernández-Ortiz JP, Abbott NL, Gellman SH, de Pablo JJ. Dipole-induced self-assembly of helical beta-peptides. The Journal of Chemical Physics. 129: 015102. PMID 18624501 DOI: 10.1063/1.2928700  0.497
2008 Miller CA, Gellman SH, Abbott NL, de Pablo JJ. Mechanical stability of helical beta-peptides and a comparison of explicit and implicit solvent models. Biophysical Journal. 95: 3123-36. PMID 18621835 DOI: 10.1529/Biophysj.108.134833  0.481
2008 Koenig GM, Gettelfinger BT, de Pablo JJ, Abbott NL. Using localized surface plasmon resonances to probe the nanoscopic origins of adsorbate-driven ordering transitions of liquid crystals in contact with chemically functionalized gold nanodots. Nano Letters. 8: 2362-8. PMID 18578554 DOI: 10.1021/Nl801180C  0.786
2008 Riggleman RA, de Pablo JJ. Antiplasticization and local elastic constants in trehalose and glycerol mixtures. The Journal of Chemical Physics. 128: 224504. PMID 18554026 DOI: 10.1063/1.2925684  0.56
2008 Kang H, Detcheverry FA, Mangham AN, Stoykovich MP, Daoulas KCh, Hamers RJ, Müller M, de Pablo JJ, Nealey PF. Hierarchical assembly of nanoparticle superstructures from block copolymer-nanoparticle composites. Physical Review Letters. 100: 148303. PMID 18518077 DOI: 10.1103/Physrevlett.100.148303  0.447
2008 Papakonstantopoulos GJ, Riggleman RA, Barrat JL, de Pablo JJ. Molecular plasticity of polymeric glasses in the elastic regime. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 77: 041502. PMID 18517623 DOI: 10.1103/Physreve.77.041502  0.783
2008 Chopra M, Malshe R, Reddy AS, de Pablo JJ. Improved transition path sampling methods for simulation of rare events. The Journal of Chemical Physics. 128: 144104. PMID 18412420 DOI: 10.1063/1.2889943  0.79
2008 Knotts TA, Rathore N, de Pablo JJ. An entropic perspective of protein stability on surfaces. Biophysical Journal. 94: 4473-83. PMID 18326646 DOI: 10.1529/Biophysj.107.123158  0.711
2008 Metallo CM, Vodyanik MA, de Pablo JJ, Slukvin II, Palecek SP. The response of human embryonic stem cell-derived endothelial cells to shear stress. Biotechnology and Bioengineering. 100: 830-7. PMID 18306423 DOI: 10.1002/Bit.21809  0.515
2008 Saha S, Ji L, de Pablo JJ, Palecek SP. TGFbeta/Activin/Nodal pathway in inhibition of human embryonic stem cell differentiation by mechanical strain. Biophysical Journal. 94: 4123-33. PMID 18234825 DOI: 10.1529/Biophysj.107.119891  0.396
2008 Metallo CM, Azarin SM, Ji L, de Pablo JJ, Palecek SP. Engineering tissue from human embryonic stem cells. Journal of Cellular and Molecular Medicine. 12: 709-29. PMID 18194458 DOI: 10.1111/J.1582-4934.2008.00228.X  0.71
2008 Daoulas KCh, Müller M, Stoykovich MP, Kang H, de Pablo JJ, Nealey PF. Directed copolymer assembly on chemical substrate patterns: a phenomenological and single-chain-in-mean-field simulations study of the influence of roughness in the substrate pattern. Langmuir : the Acs Journal of Surfaces and Colloids. 24: 1284-95. PMID 18067336 DOI: 10.1021/La702482Z  0.476
2008 Metallo CM, Ji L, de Pablo JJ, Palecek SP. Retinoic acid and bone morphogenetic protein signaling synergize to efficiently direct epithelial differentiation of human embryonic stem cells. Stem Cells (Dayton, Ohio). 26: 372-80. PMID 17962700 DOI: 10.1634/Stemcells.2007-0501  0.509
2007 Stoykovich MP, Kang H, Daoulas KCh, Liu G, Liu CC, de Pablo JJ, Müller M, Nealey PF. Directed self-assembly of block copolymers for nanolithography: fabrication of isolated features and essential integrated circuit geometries. Acs Nano. 1: 168-75. PMID 19206647 DOI: 10.1021/Nn700164P  0.439
2007 Riggleman RA, Lee HN, Ediger MD, de Pablo JJ. Free volume and finite-size effects in a polymer glass under stress. Physical Review Letters. 99: 215501. PMID 18233224 DOI: 10.1103/Physrevlett.99.215501  0.55
2007 Hung FR, Gettelfinger BT, Koenig GM, Abbott NL, de Pablo JJ. Nanoparticles in nematic liquid crystals: interactions with nanochannels. The Journal of Chemical Physics. 127: 124702. PMID 17902926 DOI: 10.1063/1.2770724  0.776
2007 Mastny EA, de Pablo JJ. Melting line of the Lennard-Jones system, infinite size, and full potential. The Journal of Chemical Physics. 127: 104504. PMID 17867758 DOI: 10.1063/1.2753149  0.792
2007 Riggleman RA, Douglas JF, de Pablo JJ. Characterization of the potential energy landscape of an antiplasticized polymer. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 76: 011504. PMID 17677447 DOI: 10.1103/Physreve.76.011504  0.55
2007 Riggleman RA, Douglas JF, de Pablo JJ. Tuning polymer melt fragility with antiplasticizer additives. The Journal of Chemical Physics. 126: 234903. PMID 17600442 DOI: 10.1063/1.2742382  0.576
2007 Papakonstantopoulos GJ, Doxastakis M, Nealey PF, Barrat JL, de Pablo JJ. Calculation of local mechanical properties of filled polymers. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 75: 031803. PMID 17500718 DOI: 10.1103/Physreve.75.031803  0.794
2007 Stoltz C, de Pablo JJ, Graham MD. Simulation of nonlinear shear rheology of dilute salt-free polyelectrolyte solutions. The Journal of Chemical Physics. 126: 124906. PMID 17411160 DOI: 10.1063/1.2712182  0.792
2007 Knotts TA, Rathore N, Schwartz DC, de Pablo JJ. A coarse grain model for DNA. The Journal of Chemical Physics. 126: 084901. PMID 17343470 DOI: 10.1063/1.2431804  0.715
2007 Metallo CM, Mohr JC, Detzel CJ, de Pablo JJ, Van Wie BJ, Palecek SP. Engineering the stem cell microenvironment. Biotechnology Progress. 23: 18-23. PMID 17269664 DOI: 10.1021/Bp060350A  0.756
2007 Doxastakis M, Sakai VG, Ohtake S, Maranas JK, de Pablo JJ. A molecular view of melting in anhydrous phospholipidic membranes. Biophysical Journal. 92: 147-61. PMID 17159004 DOI: 10.1529/Biophysj.106.089631  0.749
2006 Daoulas KC, Müller M, de Pablo JJ, Nealey PF, Smith GD. Morphology of multi-component polymer systems: single chain in mean field simulation studies. Soft Matter. 2: 573-583. PMID 32680236 DOI: 10.1039/B602610A  0.509
2006 Riggleman RA, Yoshimoto K, Douglas JF, de Pablo JJ. Influence of confinement on the fragility of antiplasticized and pure polymer films. Physical Review Letters. 97: 045502. PMID 16907588 DOI: 10.1103/Physrevlett.97.045502  0.662
2006 Hung FR, Guzmán O, Gettelfinger BT, Abbott NL, de Pablo JJ. Anisotropic nanoparticles immersed in a nematic liquid crystal: defect structures and potentials of mean force. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 74: 011711. PMID 16907115 DOI: 10.1103/Physreve.74.011711  0.796
2006 Rathore N, Gellman SH, de Pablo JJ. Thermodynamic stability of beta-peptide helices and the role of cyclic residues. Biophysical Journal. 91: 3425-35. PMID 16905613 DOI: 10.1529/Biophysj.106.084491  0.536
2006 Mohr JC, de Pablo JJ, Palecek SP. 3-D microwell culture of human embryonic stem cells. Biomaterials. 27: 6032-42. PMID 16884768 DOI: 10.1016/J.Biomaterials.2006.07.012  0.685
2006 Mohr JC, de Pablo JJ, Palecek SP. Electroporation of human embryonic stem cells: Small and macromolecule loading and DNA transfection. Biotechnology Progress. 22: 825-34. PMID 16739967 DOI: 10.1021/Bp0600334  0.683
2006 Daoulas KCh, Müller M, Stoykovich MP, Park SM, Papakonstantopoulos YJ, de Pablo JJ, Nealey PF, Solak HH. Fabrication of complex three-dimensional nanostructures from self-assembling block copolymer materials on two-dimensional chemically patterned templates with mismatched symmetry. Physical Review Letters. 96: 036104. PMID 16486737 DOI: 10.1103/Physrevlett.96.036104  0.448
2006 Ohtake S, Schebor C, de Pablo JJ. Effects of trehalose on the phase behavior of DPPC-cholesterol unilamellar vesicles. Biochimica Et Biophysica Acta. 1758: 65-73. PMID 16473323 DOI: 10.1016/J.Bbamem.2006.01.002  0.493
2006 Rathore N, Knotts TA, de Pablo JJ. Confinement effects on the thermodynamics of protein folding: Monte Carlo simulations. Biophysical Journal. 90: 1767-73. PMID 16361344 DOI: 10.1529/biophysj.105.071076  0.734
2006 Saha S, Ji L, de Pablo JJ, Palecek SP. Inhibition of human embryonic stem cell differentiation by mechanical strain. Journal of Cellular Physiology. 206: 126-37. PMID 15965964 DOI: 10.1002/Jcp.20441  0.41
2005 Chen YL, Graham MD, de Pablo JJ, Jo K, Schwartz DC. DNA Molecules in Microfluidic Oscillatory Flow. Macromolecules. 38: 6680-6687. PMID 19057656 DOI: 10.1021/Ma050238D  0.382
2005 Yin DW, Yan Q, de Pablo JJ. Molecular dynamics simulation of discontinuous volume phase transitions in highly-charged crosslinked polyelectrolyte networks with explicit counterions in good solvent. The Journal of Chemical Physics. 123: 174909. PMID 16375571 DOI: 10.1063/1.2102827  0.533
2005 Doxastakis M, Sum AK, de Pablo JJ. Modulating membrane properties: the effect of trehalose and cholesterol on a phospholipid bilayer. The Journal of Physical Chemistry. B. 109: 24173-81. PMID 16375409 DOI: 10.1021/Jp054843U  0.718
2005 Papakonstantopoulos GJ, Yoshimoto K, Doxastakis M, Nealey PF, de Pablo JJ. Local mechanical properties of polymeric nanocomposites. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 72: 031801. PMID 16241467 DOI: 10.1103/Physreve.72.031801  0.806
2005 Kim EB, Lockwood N, Chopra M, Guzmán O, Abbott NL, de Pablo JJ. Interactions of liquid crystal-forming molecules with phospholipid bilayers studied by molecular dynamics simulations. Biophysical Journal. 89: 3141-58. PMID 16113112 DOI: 10.1529/Biophysj.105.065193  0.613
2005 Knotts TA, Rathore N, de Pablo JJ. Structure and stability of a model three-helix-bundle protein on tailored surfaces. Proteins. 61: 385-97. PMID 16106409 DOI: 10.1002/Prot.20581  0.716
2005 Van Workum K, Yoshimoto K, de Pablo JJ, Douglas JF. Isothermal stress and elasticity tensors for ions and point dipoles using Ewald summations. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 71: 061102. PMID 16089717 DOI: 10.1103/Physreve.71.061102  0.769
2005 Doxastakis M, Chen YL, de Pablo JJ. Potential of mean force between two nanometer-scale particles in a polymer solution. The Journal of Chemical Physics. 123: 34901. PMID 16080757 DOI: 10.1063/1.1953575  0.713
2005 Ohtake S, Schebor C, Palecek SP, de Pablo JJ. Phase behavior of freeze-dried phospholipid-cholesterol mixtures stabilized with trehalose. Biochimica Et Biophysica Acta. 1713: 57-64. PMID 15950174 DOI: 10.1016/J.Bbamem.2005.05.001  0.48
2005 Stoykovich MP, Müller M, Kim SO, Solak HH, Edwards EW, de Pablo JJ, Nealey PF. Directed assembly of block copolymer blends into nonregular device-oriented structures. Science (New York, N.Y.). 308: 1442-6. PMID 15933196 DOI: 10.1126/Science.1111041  0.437
2005 Jain TS, de Pablo JJ. Role of local structure on motions on the potential energy landscape for a model supercooled polymer. The Journal of Chemical Physics. 122: 174515. PMID 15910053 DOI: 10.1063/1.1888505  0.698
2005 Yoshimoto K, Jain TS, Nealey PF, de Pablo JJ. Local dynamic mechanical properties in model free-standing polymer thin films. The Journal of Chemical Physics. 122: 144712. PMID 15847558 DOI: 10.1063/1.1873732  0.774
2005 Mastny EA, de Pablo JJ. Direct calculation of solid-liquid equilibria from density-of-states Monte Carlo simulations. The Journal of Chemical Physics. 122: 124109. PMID 15836371 DOI: 10.1063/1.1874792  0.797
2005 Rathore N, Chopra M, de Pablo JJ. Optimal allocation of replicas in parallel tempering simulations. The Journal of Chemical Physics. 122: 024111. PMID 15638576 DOI: 10.1063/1.1831273  0.538
2004 Chen YL, Graham MD, de Pablo JJ, Randall GC, Gupta M, Doyle PS. Conformation and dynamics of single DNA molecules in parallel-plate slit microchannels. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 70: 060901. PMID 15697334 DOI: 10.1103/Physreve.70.060901  0.417
2004 Yoshimoto K, Jain TS, Van Workum K, Nealey PF, de Pablo JJ. Mechanical heterogeneities in model polymer glasses at small length scales. Physical Review Letters. 93: 175501. PMID 15525087 DOI: 10.1103/Physrevlett.93.175501  0.795
2004 Ohtake S, Schebor C, Palecek SP, de Pablo JJ. Effect of pH, counter ion, and phosphate concentration on the glass transition temperature of freeze-dried sugar-phosphate mixtures. Pharmaceutical Research. 21: 1615-21. PMID 15497687 DOI: 10.1023/B:Pham.0000041456.19377.87  0.486
2004 Jendrejack RM, Schwartz DC, de Pablo JJ, Graham MD. Shear-induced migration in flowing polymer solutions: simulation of long-chain DNA in microchannels [corrected]. The Journal of Chemical Physics. 120: 2513-29. PMID 15268395 DOI: 10.1063/1.1637331  0.8
2004 Banaszak BJ, Faller R, De Pablo JJ. Simulation of the effects of chain architecture on the sorption of ethylene in polyethylene. The Journal of Chemical Physics. 120: 11304-15. PMID 15268158 DOI: 10.1063/1.1751178  0.788
2004 de Pablo L, Chávez ML, Sum AK, de Pablo JJ. Monte Carlo molecular simulation of the hydration of Na-montmorillonite at reservoir conditions. The Journal of Chemical Physics. 120: 939-46. PMID 15267930 DOI: 10.1063/1.1631440  0.488
2004 Jain TS, de Pablo JJ. Influence of confinement on the vibrational density of states and the Boson peak in a polymer glass. The Journal of Chemical Physics. 120: 9371-5. PMID 15267875 DOI: 10.1063/1.1689952  0.681
2004 Doxastakis M, Chen YL, Guzmán O, de Pablo JJ. Polymer-particle mixtures: depletion and packing effects. The Journal of Chemical Physics. 120: 9335-42. PMID 15267871 DOI: 10.1063/1.1704634  0.713
2004 Rathore N, Yan Q, de Pablo JJ. Molecular simulation of the reversible mechanical unfolding of proteins. The Journal of Chemical Physics. 120: 5781-8. PMID 15267457 DOI: 10.1063/1.1649314  0.563
2004 Kim EB, Guzman O, Grollau S, Abbott NL, de Pablo JJ. Interactions between spherical colloids mediated by a liquid crystal: a molecular simulation and mesoscale study. The Journal of Chemical Physics. 121: 1949-61. PMID 15260747 DOI: 10.1063/1.1761054  0.64
2004 Yan Q, Jain TS, de Pablo JJ. Density-of-states Monte Carlo simulation of a binary glass. Physical Review Letters. 92: 235701. PMID 15245169 DOI: 10.1103/Physrevlett.92.235701  0.704
2004 Kim EB, de Pablo JJ. Potential of mean force between a spherical particle suspended in a nematic liquid crystal and a substrate: sphere size effects. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 69: 061703. PMID 15244594 DOI: 10.1103/Physreve.69.061703  0.604
2004 Jain TS, de Pablo JJ. Investigation of transition States in bulk and freestanding film polymer glasses. Physical Review Letters. 92: 155505. PMID 15169297 DOI: 10.1103/Physrevlett.92.155505  0.679
2004 Ohtake S, Schebor C, Palecek SP, de Pablo JJ. Effect of sugar-phosphate mixtures on the stability of DPPC membranes in dehydrated systems. Cryobiology. 48: 81-9. PMID 14969685 DOI: 10.1016/J.Cryobiol.2004.01.001  0.509
2003 Guzmán O, Kim EB, Grollau S, Abbott NL, de Pablo JJ. Defect structure around two colloids in a liquid crystal. Physical Review Letters. 91: 235507. PMID 14683198 DOI: 10.1103/Physrevlett.91.235507  0.616
2003 Rathore N, Knotts TA, de Pablo JJ. Configurational temperature density of states simulations of proteins. Biophysical Journal. 85: 3963-8. PMID 14645085 DOI: 10.1016/S0006-3495(03)74810-3  0.726
2003 Sum AK, de Pablo JJ. Molecular simulation study on the influence of dimethylsulfoxide on the structure of phospholipid bilayers. Biophysical Journal. 85: 3636-45. PMID 14645056 DOI: 10.1016/S0006-3495(03)74781-X  0.51
2003 Sum AK, Faller R, de Pablo JJ. Molecular simulation study of phospholipid bilayers and insights of the interactions with disaccharides. Biophysical Journal. 85: 2830-44. PMID 14581188 DOI: 10.1016/S0006-3495(03)74706-7  0.529
2003 Jendrejack RM, Dimalanta ET, Schwartz DC, Graham MD, de Pablo JJ. DNA dynamics in a microchannel. Physical Review Letters. 91: 038102. PMID 12906459 DOI: 10.1103/Physrevlett.91.038102  0.79
2003 Kim SO, Solak HH, Stoykovich MP, Ferrier NJ, De Pablo JJ, Nealey PF. Epitaxial self-assembly of block copolymers on lithographically defined nanopatterned substrates. Nature. 424: 411-4. PMID 12879065 DOI: 10.1038/Nature01775  0.469
2003 van Workum K, de Pablo JJ. Local elastic constants in thin films of an fcc crystal. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 67: 031601. PMID 12689074 DOI: 10.1103/PhysRevE.67.031601  0.791
2003 Van Workum K, de Pablo JJ. Improved simulation method for the calculation of the elastic constants of crystalline and amorphous systems using strain fluctuations. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 67: 011505. PMID 12636504 DOI: 10.1103/PhysRevE.67.011505  0.789
2000 Torres JA, Nealey PF, de Pablo JJ. Molecular simulation of ultrathin polymeric films near the glass transition. Physical Review Letters. 85: 3221-4. PMID 11019306 DOI: 10.1103/Physrevlett.85.3221  0.488
2000 Conrad PB, Miller DP, Cielenski PR, de Pablo JJ. Stabilization and preservation of Lactobacillus acidophilus in saccharide matrices. Cryobiology. 41: 17-24. PMID 11017757 DOI: 10.1006/Cryo.2000.2260  0.759
1999 de Pablo JJ, Yan Q, Escobedo FA. Simulation of phase transitions in fluids. Annual Review of Physical Chemistry. 50: 377-411. PMID 15012417 DOI: 10.1146/annurev.physchem.50.1.377  0.677
1998 Escobedo FA, Fryer DS, De Pablo JJ. Application of scanning thermal microscopy to the study of thermophysical properties of ultrathin photoresist films Proceedings of Spie - the International Society For Optical Engineering. 3332: 735-740. DOI: 10.1117/12.308791  0.677
1997 Miller DP, de Pablo JJ, Corti H. Thermophysical properties of trehalose and its concentrated aqueous solutions. Pharmaceutical Research. 14: 578-90. PMID 9165527 DOI: 10.1023/A:1012192725996  0.667
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