de Pablo Group: Publications Latest

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Preprints

  1. Hierarchical Coupling of First Principles Molecular Dynamics with Advanced Sampling Methods,” Emre Sevgen, Federico Giberti, Hythem Sidky, Jonathan Whitmer, Giulia Galli, Francois Gygi, and Juan de Pablo. J. Chem. Theory Comput., 2018

Recent Publications

  1. Topological Effects in Isolated Poly[n]catenanes: Molecular Dynamics Simulations and Rouse Mode Analysis,” P.M. Rauscher, S.J. Rowan, JJ de Pablo. ACS Macro Letters, 7, 938-943, 2018

    Overview

    Molecular dynamics simulations of isolated poly[n]catenanes have been conducted, along with a Rouse mode analysis. At large length scales poly[n]catenanes do not relax much slower than isolated linear polymers and are less strongly impacted by increased segmental stiffness.

  2. “Multivalent counterions diminish the lubricity of polyelectrolyte brushes,” J. Yu, N. E. Jackson, X. Xu, Y. Morgenstern, Y. Kaufman, M. Ruths, J. J. de Pablo, M. Tirrell. Science , 360, 1434-1438, 2018

  3. Hierarchical Coupling of First Principles Molecular Dynamics with Advanced Sampling Methods,” Emre Sevgen, Federico Giberti, Hythem Sidky, Jonathan Whitmer, Giulia Galli, Francois Gygi, and Juan de Pablo. J. Chem. Theory Comput., 2018

  4. “Phase Behavior and Salt Partitioning in Polyelectrolyte Complex Coacervates,” L. Li, S. Srivastava, M. Andreev, A. Marciel, J.de Pablo, M. V. Tirrell. Macromolecules, 51, 2988–2995, 2018

  5. “Dynamic actuation of glassy polymersomes through isomerization of a single azobenzene unit at the block copolymer interface,” Mijanur Rahaman Molla, Poornima Rangadurai, Lucas Antony, Subramani Swaminathan, Juan J. de Pablo & S. Thayumanavan. Nature Chemistry, 2018

  6. “Ion Distribution in Microphase-Separated Copolymers with Periodic Dielectric Permittivity ,” Weiwei Chu, Jian Qin, Juan J. de Pablo. Macromolecules, 51, 1986-1991, 2018

  7. “A Detailed Examination of the Topological Constraints of Lamellae-Forming Block Copolymers ,” Abelardo Ramírez-Hernández, Brandon L. Peters, Ludwig Schneider, Marat Andreev, Jay D. Schieber, Marcus Müller, Martin Kröger, Juan J. de Pablo. Macromolecules, 51, 2110-2124, 2018

  8. “In Silico Measurement of Elastic Moduli of Nematic Liquid Crystals ,” Hythem Sidky, Juan J. de Pablo, Jonathan K. Whitmer. Phys. Rev. Lett., 120, 2018

  9. “Role of translational entropy in spatially inhomogeneous, coarse-grained models ,” Marcel Langenberg, Nicholas E. Jackson, Juan J. de Pablo, Marcus Müller. The Journal of Chemical Physics, 148, 2018

  10. “Drop splashing is independent of substrate wetting ,” Andrzej Latka, Arnout M. P. Boelens, Sidney R. Nagel, Juan J. de Pablo. Physics of Fluids, 30, 2018

  11. “Low-temperature anomalies of a vapor deposited glass ,” Beatriz Seoane, Daniel R. Reid, Juan J. de Pablo, and Francesco Zamponi. Phys. Rev. Materials, 2, 2018

  12. “SSAGES: Software Suite for Advanced General Ensemble Simulations ,” Hythem Sidky, Yamil J. Colón, Julian Helfferich, Benjamin J. Sikora, Cody Bezik, Weiwei Chu, Federico Giberti, Ashley Z. Guo, Xikai Jiang, Joshua Lequieu, Jiyuan Li, Joshua Moller, Michael J. Quevillon, Mohammad Rahimi, Hadi Ramezani-Dakhel, Vikramjit S. Rathee, Daniel R. Reid, Emre Sevgen, Vikram Thapar, Michael A. Webb, Jonathan K. Whitmer, and Juan J. de Pablo. the Journal of Chemical Physics, 148, 2018

  13. “Interplay of structure, elasticity, and dynamics in actin-based nematic materials ,” Rui Zhang, Nitin Kumar, Jennifer L. Ross, Margaret L. Gardel and Juan J. de Pablo. PNAS, 115, E124-E133, 2018

  14. “Water Flux Induced Reorientation of Liquid Crystals ,” Hadi Ramezani-Dakhel, Monirosadat Sadati, Rui Zhang, Mohammad Rahimi, Khia Kurtenbach, Benoît Roux, and Juan J. de Pablo. ACS Cent. Sci., 3, 1345-1349, 2017

  15. “Electrostatic confinement and manipulation of DNA molecules for genome analysis ,” Kristy L. Kounovsky-Shafer, Juan P. Hernandez-Ortiz, Konstantinos Potamousis, Gene Tsvid, Michael Place, Prabu Ravindran, Kyubong Jo, Shiguo Zhou, Theo Odijk, Juan J. de Pablo and David C. Schwartz. PNAS, 114, 13400-13405, 2017

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