Juan J. de Pablo
#36,277
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Mexican American chemical engineer
Juan J. de Pablo's AcademicInfluence.com Rankings
Juan J. de Pablochemistry Degrees
Chemistry
#1283
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#1967
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Chemical Engineering
#94
World Rank
#105
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Chemistry
Juan J. de Pablo's Degrees
- PhD Chemical Engineering Stanford University
Why Is Juan J. de Pablo Influential?
(Suggest an Edit or Addition)According to Wikipedia, Juan J. de Pablo is a chemical engineer, Liew Family professor in the Pritzker School of Molecular Engineering at the University of Chicago and senior scientist at Argonne National Laboratory. In 2018, he was appointed Vice President for National Laboratories at the University of Chicago, a title which later expanded to include Science Strategy, Innovation and Global Initiatives in 2020. As of 2021, he is Executive Vice President for Science, Innovation, National Laboratories and Global Initiatives at the University of Chicago. He is known for his research on the thermophysical properties of soft materials. He is currently the co-director of the NIST supported Center for Hierarchical Materials Design . and former director of the UW-Madison Materials Research Science and Engineering Center . He was elected a member of the National Academy of Sciences in 2022.
Juan J. de Pablo's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Epitaxial self-assembly of block copolymers on lithographically defined nanopatterned substrates (2003) (1400)
- Directed Assembly of Block Copolymer Blends into Nonregular Device-Oriented Structures (2005) (808)
- Density Multiplication and Improved Lithography by Directed Block Copolymer Assembly (2008) (495)
- Directed self-assembly of block copolymers for nanolithography: fabrication of isolated features and essential integrated circuit geometries. (2007) (396)
- Dependence of the Glass Transition Temperature of Polymer Films on Interfacial Energy and Thickness (2001) (395)
- ON THE SIMULATION OF VAPOR-LIQUID EQUILIBRIA FOR ALKANES (1998) (353)
- Endotoxin-Induced Structural Transformations in Liquid Crystalline Droplets (2011) (305)
- Simulation of polyethylene above and below the melting point (1992) (300)
- A coarse grain model for DNA. (2007) (274)
- Hyper-parallel tempering Monte Carlo: Application to the Lennard-Jones fluid and the restricted primitive model (1999) (274)
- Thermal Probe Measurements of the Glass Transition Temperature for Ultrathin Polymer Films as a Function of Thickness (2000) (268)
- Molecular simulation of ultrathin polymeric films near the glass transition. (2000) (266)
- New frontiers for the materials genome initiative (2019) (244)
- 3-D microwell culture of human embryonic stem cells. (2006) (241)
- A single-molecule barcoding system using nanoslits for DNA analysis (2007) (241)
- Stochastic simulations of DNA in flow: Dynamics and the effects of hydrodynamic interactions (2002) (240)
- Optimal allocation of replicas in parallel tempering simulations. (2005) (222)
- The microwell control of embryoid body size in order to regulate cardiac differentiation of human embryonic stem cells. (2010) (206)
- Chemical Patterns for Directed Self-Assembly of Lamellae-Forming Block Copolymers with Density Multiplication of Features (2013) (204)
- Shear-induced migration in flowing polymer solutions: simulation of long-chain DNA in microchannels [corrected]. (2004) (203)
- Mechanism of IAPP amyloid fibril formation involves an intermediate with a transient β-sheet (2013) (201)
- Molecular simulation study of phospholipid bilayers and insights of the interactions with disaccharides. (2003) (198)
- Ultrastable glasses from in silico vapour deposition. (2013) (197)
- Simulation of phase equilibria for chain molecules (1992) (195)
- Topological Defects in Liquid Crystals as Templates for Molecular Self-Assembly (2015) (192)
- Monte Carlo Simulations of a Coarse Grain Model for Block Copolymers and Nanocomposites (2008) (188)
- Mechanical heterogeneities in model polymer glasses at small length scales. (2004) (187)
- Stabilization and preservation of Lactobacillus acidophilus in saccharide matrices. (2000) (184)
- Estimation of the chemical potential of chain molecules by simulation (1992) (184)
- Phase Behavior and Salt Partitioning in Polyelectrolyte Complex Coacervates (2018) (177)
- A microfluidic system for large DNA molecule arrays. (2004) (171)
- Inhibition of human embryonic stem cell differentiation by mechanical strain (2006) (168)
- Tunable molecular orientation and elevated thermal stability of vapor-deposited organic semiconductors (2015) (168)
- Expanded grand canonical and Gibbs ensemble Monte Carlo simulation of polymers (1996) (167)
- An experimentally-informed coarse-grained 3-Site-Per-Nucleotide model of DNA: structure, thermodynamics, and dynamics of hybridization. (2013) (167)
- Chirality-selected phase behaviour in ionic polypeptide complexes (2015) (162)
- Influence of confinement on the fragility of antiplasticized and pure polymer films. (2006) (161)
- Thermophysical Properties of Trehalose and Its Concentrated Aqueous Solutions (1997) (161)
- Two-dimensional infrared spectroscopy reveals the complex behavior of an amyloid fibril inhibitor (2012) (158)
- Retinoic Acid and Bone Morphogenetic Protein Signaling Synergize to Efficiently Direct Epithelial Differentiation of Human Embryonic Stem Cells (2008) (157)
- A mesoscale model of DNA and its renaturation. (2009) (153)
- Density-of-states Monte Carlo method for simulation of fluids (2002) (152)
- Monte Carlo simulations of Wyoming sodium montmorillonite hydrates (2001) (152)
- DNA dynamics in a microchannel. (2003) (148)
- Hydrodynamic interactions in long chain polymers: Application of the Chebyshev polynomial approximation in stochastic simulations (2000) (143)
- Polymer Informatics: Opportunities and Challenges. (2017) (142)
- Poly[n]catenanes: Synthesis of molecular interlocked chains (2017) (142)
- Monte Carlo Simulations of Asymmetric Diblock Copolymer Thin Films Confined between Two Homogeneous Surfaces (2001) (141)
- Effect of confinement on DNA dynamics in microfluidic devices (2003) (139)
- Melting line of the Lennard-Jones system, infinite size, and full potential. (2007) (139)
- Engineering the Stem Cell Microenvironment (2007) (138)
- Rapid Directed Assembly of Block Copolymer Films at Elevated Temperatures (2008) (138)
- Fast computation of many-particle hydrodynamic and electrostatic interactions in a confined geometry. (2007) (137)
- The Materials Genome Initiative, the interplay of experiment, theory and computation (2014) (134)
- Interpolation in the Directed Assembly of Block Copolymers on Nanopatterned Substrates: Simulation and Experiments (2010) (131)
- Cryopreservation of adherent human embryonic stem cells (2004) (130)
- TGFbeta/Activin/Nodal pathway in inhibition of human embryonic stem cell differentiation by mechanical strain. (2008) (125)
- Conformation and dynamics of single DNA molecules in parallel-plate slit microchannels. (2004) (123)
- Monte Carlo simulations of diblock copolymer thin films confined between two homogeneous surfaces (2000) (123)
- Fast calculation of the density of states of a fluid by Monte Carlo simulations. (2003) (122)
- Extraordinary elevation of the glass transition temperature of thin polymer films grafted to silicon oxide substrates (2001) (115)
- Entanglement network in nanoparticle reinforced polymers. (2009) (114)
- Theoretically informed coarse grain simulations of polymeric systems. (2009) (113)
- Dimensions and Shapes of Block Copolymer Domains Assembled on Lithographically Defined Chemically Patterned Substrates (2007) (111)
- Monte carlo simulation of coarse grain polymeric systems. (2009) (110)
- Ternary, Tunable Polyelectrolyte Complex Fluids Driven by Complex Coacervation (2014) (108)
- Hierarchical assembly of nanoparticle superstructures from block copolymer-nanoparticle composites. (2008) (107)
- Interfacial Tension of Polyelectrolyte Complex Coacervate Phases. (2014) (107)
- Local mechanical properties of polymeric nanocomposites. (2005) (107)
- Influence of surfactant tail branching and organization on the orientation of liquid crystals at aqueous-liquid crystal interfaces. (2005) (106)
- Morphology of multi-component polymer systems: single chain in mean field simulation studies. (2006) (105)
- Extended continuum configurational bias Monte Carlo methods for simulation of flexible molecules (1995) (105)
- Stable and metastable states of human amylin in solution. (2010) (104)
- 2DIR spectroscopy of human amylin fibrils reflects stable β-sheet structure. (2011) (104)
- Aqueous-based photoresist drying using supercritical carbon dioxide to prevent pattern collapse (2000) (104)
- Multivalent counterions diminish the lubricity of polyelectrolyte brushes (2018) (103)
- Tuning polymer melt fragility with antiplasticizer additives. (2007) (101)
- Free Energy of Defects in Ordered Assemblies of Block Copolymer Domains. (2012) (100)
- Deformation-Induced Mobility in Polymer Glasses during Multistep Creep Experiments and Simulations (2009) (99)
- Monte Carlo simulation of proteins through a random walk in energy space (2002) (98)
- Phase equilibria for fluid mixtures from monte-carlo simulation (1989) (95)
- Directly Observing Micelle Fusion and Growth in Solution by Liquid-Cell Transmission Electron Microscopy. (2017) (95)
- Structural motif of polyglutamine amyloid fibrils discerned with mixed-isotope infrared spectroscopy (2014) (94)
- Hyperparallel tempering Monte Carlo simulation of polymeric systems (2000) (94)
- Free volume and finite-size effects in a polymer glass under stress. (2007) (93)
- Mechanism and kinetics of ordering in diblock copolymer thin films on chemically nanopatterned substrates (2005) (93)
- Tunable structure and dynamics of active liquid crystals (2018) (93)
- Coarse-Grained Simulations of Macromolecules: From DNA to Nanocomposites (2011) (92)
- Fabrication of complex three-dimensional nanostructures from self-assembling block copolymer materials on two-dimensional chemically patterned templates with mismatched symmetry. (2006) (91)
- Monte Carlo simulation of the chemical potential of polymers in an expanded ensemble (1995) (91)
- Molecular pathways for defect annihilation in directed self-assembly (2015) (91)
- Characterizing the Three-Dimensional Structure of Block Copolymers via Sequential Infiltration Synthesis and Scanning Transmission Electron Tomography. (2015) (91)
- Calculation of local mechanical properties of filled polymers. (2007) (90)
- Characterization of adsorbate-induced ordering transitions of liquid crystals within monodisperse droplets. (2009) (90)
- Nanoparticle self-assembly at the interface of liquid crystal droplets (2015) (90)
- The response of human embryonic stem cell-derived endothelial cells to shear stress. (2008) (90)
- Defect structure around two colloids in a liquid crystal. (2003) (88)
- Density of states simulations of proteins (2003) (88)
- Recent advances in machine learning towards multiscale soft materials design (2019) (88)
- Theoretically informed coarse grain simulations of block copolymer melts: method and applications (2009) (88)
- Molecular simulation and continuum mechanics study of simple fluids in non-isothermal planar couette flows (1997) (88)
- Heterogeneous dynamics during deformation of a polymer glass (2010) (86)
- Simulation of phase transitions in fluids. (1999) (86)
- Liquid-crystal-mediated self-assembly at nanodroplet interfaces (2012) (84)
- Multicanonical parallel tempering (2002) (83)
- Molecular simulation study on the influence of dimethylsulfoxide on the structure of phospholipid bilayers. (2003) (83)
- 2D IR line shapes probe ovispirin peptide conformation and depth in lipid bilayers. (2010) (83)
- Directed self-assembly of liquid crystalline blue-phases into ideal single-crystals (2017) (83)
- Parallel β-sheet vibrational couplings revealed by 2D IR spectroscopy of an isotopically labeled macrocycle: quantitative benchmark for the interpretation of amyloid and protein infrared spectra. (2012) (82)
- Simulation and prediction of vapour-liquid equilibria for chain molecules (1996) (82)
- Stabilization of Lactate Dehydrogenase Following Freeze-Thawing and Vacuum-Drying in the Presence of Trehalose and Borate (1998) (82)
- Nonlinear Creep in a Polymer Glass (2008) (82)
- Coarse-grained modeling of DNA curvature. (2014) (81)
- Influence of Nanorod Inclusions on Structure and Primitive Path Network of Polymer Nanocomposites at Equilibrium and Under Deformation (2011) (81)
- Antiplasticization and the elastic properties of glass-forming polymer liquids (2010) (81)
- Remediation of Line Edge Roughness in Chemical Nanopatterns by the Directed Assembly of Overlying Block Copolymer Films (2010) (80)
- Effects of trehalose on the phase behavior of DPPC-cholesterol unilamellar vesicles. (2006) (78)
- A pH-Triggered, Self-Assembled, and Bioprintable Hybrid Hydrogel Scaffold for Mesenchymal Stem Cell Based Bone Tissue Engineering (2019) (78)
- Elongation and migration of single DNA molecules in microchannels using oscillatory shear flows. (2009) (78)
- Gel phase formation in dilute triblock copolyelectrolyte complexes (2017) (78)
- Study of volume phase transitions in polymeric nanogels by theoretically informed coarse-grained simulations (2011) (77)
- Model vapor-deposited glasses: growth front and composition effects. (2013) (76)
- Auxetic metamaterials from disordered networks (2017) (76)
- Evidence for size-dependent mechanical properties from simulations of nanoscopic polymeric structures (2002) (74)
- Criticality and Connectivity in Macromolecular Charge Complexation (2016) (72)
- Local dynamic mechanical properties in model free-standing polymer thin films. (2005) (72)
- Dynamic actuation of glassy polymersomes through isomerization of a single azobenzene unit at the block copolymer interface (2018) (72)
- Confinement effects on the thermodynamics of protein folding: Monte Carlo simulations. (2006) (72)
- Simulation of Defect Reduction in Block Copolymer Thin Films by Solvent Annealing. (2015) (72)
- An entropic perspective of protein stability on surfaces. (2008) (72)
- Defect removal in the course of directed self-assembly is facilitated in the vicinity of the order-disorder transition. (2014) (72)
- Concentration dependence of shear and extensional rheology of polymer solutions: Brownian dynamics simulations (2006) (71)
- Molecular simulation of the swelling of polyelectrolyte gels by monovalent and divalent counterions. (2008) (71)
- A molecular view of vapor deposited glasses. (2011) (71)
- Modulation of Wnt/β-catenin signaling in human embryonic stem cells using a 3-D microwell array. (2012) (71)
- Rheological, thermodynamic, and structural studies of linear and branched alkanes under shear (1997) (70)
- Polymer-particle mixtures: depletion and packing effects. (2004) (70)
- Phase behavior of freeze-dried phospholipid-cholesterol mixtures stabilized with trehalose. (2005) (70)
- Influence of Ion Solvation on the Properties of Electrolyte Solutions. (2018) (69)
- A molecular view of melting in anhydrous phospholipidic membranes. (2007) (69)
- Liquid Crystal Enabled Early Stage Detection of Beta Amyloid Formation on Lipid Monolayers (2015) (69)
- Interplay of structure, elasticity, and dynamics in actin-based nematic materials (2017) (69)
- SSAGES: Software Suite for Advanced General Ensemble Simulations. (2018) (68)
- Symmetric diblock copolymer thin films confined between homogeneous and patterned surfaces: Simulations and theory (2000) (68)
- DNA shape dominates sequence affinity in nucleosome formation. (2014) (67)
- Quenched disorder in a liquid-crystal biosensor: adsorbed nanoparticles at confining walls. (2005) (65)
- Single nanoparticle tracking reveals influence of chemical functionality of nanoparticles on local ordering of liquid crystals and nanoparticle diffusion coefficients. (2009) (65)
- Swelling and collapse of polyelectrolyte gels in equilibrium with monovalent and divalent electrolyte solutions. (2009) (65)
- Potential of mean force between a spherical particle suspended in a nematic liquid crystal and a substrate: sphere size effects. (2002) (64)
- Modulating membrane properties: the effect of trehalose and cholesterol on a phospholipid bilayer. (2005) (63)
- Molecular simulation of polymeric networks and gels: phase behavior and swelling (1999) (63)
- Continuum-configurational-bias Monte Carlo simulations of long-chain alkanes (1993) (63)
- Computational Approaches for the Dynamics of Structure Formation in Self-Assembling Polymeric Materials (2013) (62)
- Three‐dimensional Directed Assembly of Block Copolymers together with Two‐dimensional Square and Rectangular Nanolithography (2011) (62)
- Multivalent ions induce lateral structural inhomogeneities in polyelectrolyte brushes (2017) (62)
- Molecular characterization of ebselen binding activity to SARS-CoV-2 main protease (2020) (62)
- Evolutionary Optimization of Directed Self-Assembly of Triblock Copolymers on Chemically Patterned Substrates. (2014) (61)
- Molecular plasticity of polymeric glasses in the elastic regime. (2008) (61)
- Cross-stream migration of flexible molecules in a nanochannel. (2006) (61)
- 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. (2008) (61)
- A two-dimensional model of the deformation of photoresist structures using elastoplastic polymer properties (2004) (60)
- Dynamics of a Glassy Polymer Nanocomposite during Active Deformation (2009) (60)
- Dynamic structure of active nematic shells (2016) (60)
- Relationship between polymer chain conformation and phase boundaries in a supercritical fluid (1997) (60)
- Mechanical properties of antiplasticized polymer nanostructures (2010) (60)
- Computer Simulation of the Mechanical Properties of Amorphous Polymer Nanostructures (2003) (59)
- Molecular propulsion: chemical sensing and chemotaxis of DNA driven by RNA polymerase. (2009) (58)
- Identification of organophosphorus insecticides and their hydrolysis products by liquid chromatography in combination with UV and thermospray-mass spectrometric detection. (1988) (58)
- Liquid crystal-based emulsions for synthesis of spherical and non-spherical particles with chemical patches. (2013) (58)
- Monte Carlo simulation of branched and crosslinked polymers (1996) (58)
- Monte Carlo simulation of athermal mesogenic chains: Pure systems, mixtures, and constrained environments (1997) (57)
- Targeted sequence design within the coarse-grained polymer genome (2020) (57)
- Turning statistical physics models into materials design engines (2015) (57)
- The effect of hydrodynamic interactions on the dynamics of DNA translocation through pores. (2008) (56)
- Molecular simulation of the reversible mechanical unfolding of proteins. (2004) (56)
- Cavitation and Crazing in Rod-Containing Nanocomposites (2011) (56)
- A coarse-grain three-site-per-nucleotide model for DNA with explicit ions. (2011) (55)
- Simulation of vapour-liquid equilibria for branched alkanes (2000) (55)
- Directed Assembly of a Cylinder-Forming Diblock Copolymer: Topographic and Chemical Patterns (2010) (55)
- Monte Carlo simulation of a coarse-grained model of polyelectrolyte networks. (2003) (54)
- Combining advanced lithographic techniques and self-assembly of thin films of diblock copolymers to produce templates for nanofabrication (2000) (54)
- Simulations of theoretically informed coarse grain models of polymeric systems. (2010) (54)
- Anisotropic nanoparticles immersed in a nematic liquid crystal: defect structures and potentials of mean force. (2006) (54)
- DNA Molecules in Microfluidic Oscillatory Flow. (2005) (54)
- Structural Transitions in Cholesteric Liquid Crystal Droplets. (2016) (54)
- Dynamical Simulations of Coarse Grain Polymeric Systems: Rouse and Entangled Dynamics (2013) (53)
- Phase equilibria of charge-, size-, and shape-asymmetric model electrolytes. (2002) (53)
- Molecular dynamics simulation of discontinuous volume phase transitions in highly-charged crosslinked polyelectrolyte networks with explicit counterions in good solvent. (2005) (53)
- Constant pressure hybrid Molecular Dynamics-Monte Carlo simulations (2001) (52)
- Coarse-grained modeling of DNA oligomer hybridization: length, sequence, and salt effects. (2014) (52)
- Simulations of the Morphology of Cylinder-Forming Asymmetric Diblock Copolymer Thin Films on Nanopatterned Substrates (2003) (52)
- Morphologies of Linear Triblock Copolymers from Monte Carlo Simulations (2011) (52)
- Density of states-based molecular simulations. (2012) (52)
- Morphological transitions in liquid crystal nanodroplets (2012) (51)
- Uncovering pathways in DNA oligonucleotide hybridization via transition state analysis (2009) (51)
- In silico evidence for sequence-dependent nucleosome sliding (2017) (51)
- Thermodynamics of liquid‐liquid equilibria including the critical region (1987) (51)
- Orientational anisotropy in simulated vapor-deposited molecular glasses. (2015) (50)
- Evolutionary pattern design for copolymer directed self-assembly (2013) (50)
- Graph-Based Approach to Systematic Molecular Coarse-Graining. (2019) (50)
- Cross-stream-line migration in confined flowing polymer solutions: Theory and simulation (2006) (50)
- Nematic-field-driven positioning of particles in liquid crystal droplets. (2013) (49)
- Solution structures of rat amylin peptide: simulation, theory, and experiment. (2010) (49)
- Vapor-liquid equilibria for polyatomic fluids from site-site computer simulations: pure hydrocarbons and binary mixtures containing methane (1992) (49)
- Anisotropic Vapor-Deposited Glasses: Hybrid Organic Solids. (2019) (49)
- Directed assembly of non-equilibrium ABA triblock copolymer morphologies on nanopatterned substrates. (2012) (49)
- Generation and differentiation of human embryonic stem cell-derived keratinocyte precursors. (2006) (49)
- Monte Carlo Simulation of Free-Standing Polymer Films near the Glass Transition Temperature (2002) (49)
- Tension-Dependent Free Energies of Nucleosome Unwrapping (2016) (48)
- Effect of pH, Counter Ion, and Phosphate Concentration on the Glass Transition Temperature of Freeze-Dried Sugar-Phosphate Mixtures (2004) (48)
- Multiscale modeling in advanced materials research: Challenges, novel methods, and emerging applications (2007) (48)
- Characterization of the reversible interaction of pairs of nanoparticles dispersed in nematic liquid crystals. (2009) (48)
- Transport properties of polymer melts from nonequilibrium molecular dynamics (1995) (48)
- Potential of mean force between two nanometer-scale particles in a polymer solution. (2005) (48)
- Topcoat Approaches for Directed Self-Assembly of Strongly Segregating Block Copolymer Thin Films (2013) (47)
- Molecular simulations in chemical engineering: Present and future (2002) (47)
- Influence of Molecular Shape on the Thermal Stability and Molecular Orientation of Vapor-Deposited Organic Semiconductors. (2017) (47)
- Direct calculation of solid-liquid equilibria from density-of-states Monte Carlo simulations. (2005) (47)
- Statistical calculation of elastic moduli for atomistic models (2005) (47)
- Investigation of transition States in bulk and freestanding film polymer glasses. (2004) (46)
- A spectroscopic study of uranium(VI) interaction with magnetite (2007) (46)
- A critical evaluation of novel algorithms for the off-lattice Monte Carlo simulation of condensed polymer phases (1994) (46)
- Monte Carlo simulation of phase equilibria for the two-dimensional Lennard-Jones fluid in the Gibbs ensemble (1990) (46)
- Block copolymer assembly on nanoscale patterns of polymer brushes formed by electrohydrodynamic jet printing. (2014) (45)
- A biased Monte Carlo technique for calculation of the density of states of polymer films (2002) (45)
- Evolution of fivefold local symmetry during crystal nucleation and growth in dense hard-sphere packings (2012) (45)
- Monte Carlo Simulations of Diblock Copolymer Thin Films Confined between Chemically Heterogeneous Hard Surfaces (2000) (45)
- Liquid crystal mediated interactions between nanoparticles in a nematic phase. (2012) (45)
- Effect of proline mutations on the monomer conformations of amylin. (2013) (45)
- Behavior of single nanoparticle/homopolymer chain in ordered structures of diblock copolymers (2003) (45)
- Interactions between spherical colloids mediated by a liquid crystal: a molecular simulation and mesoscale study. (2004) (45)
- Polyelectrolyte Complex Coacervates: Recent Developments and New Frontiers (2021) (45)
- Simulation of the effects of chain architecture on the sorption of ethylene in polyethylene. (2004) (44)
- Fivefold symmetry as an inhibitor to hard-sphere crystallization. (2011) (44)
- Secondary Structure of Rat and Human Amylin across Force Fields (2015) (44)
- Phase equilibria of size-asymmetric primitive model electrolytes. (2001) (44)
- Scaling of Tg and reaction rate with film thickness in photoresist: A thermal probe study (2000) (43)
- Simulation and theory of the swelling of athermal gels (1997) (43)
- Shear Thickening and Jamming of Dense Suspensions: The "Roll" of Friction. (2020) (43)
- A molecular view of the role of chirality in charge-driven polypeptide complexation. (2015) (43)
- Topological Effects in Isolated Poly[n]catenanes: Molecular Dynamics Simulations and Rouse Mode Analysis. (2018) (43)
- Density of states of a binary Lennard-Jones glass (2003) (43)
- Blue-phase liquid crystal droplets (2015) (42)
- Coarse-grained simulations of macromolecules: from DNA to nanocomposites. (2011) (42)
- Molecular Structure of Canonical Liquid Crystal Interfaces. (2017) (42)
- Comparing Solvophobic and Multivalent Induced Collapse in Polyelectrolyte Brushes. (2017) (42)
- Chemical potential and equations of state of hard core chain molecules (1995) (42)
- Coarse-Grained Model of the Dynamics of Electrolyte Solutions. (2017) (41)
- An immersed boundary method for Brownian dynamics simulation of polymers in complex geometries: application to DNA flowing through a nanoslit with embedded nanopits. (2012) (41)
- Solubility of Small Molecules and Their Mixtures in Polyethylene (1999) (41)
- Coupling of the Plasmon Resonances of Chemically Functionalized Gold Nanoparticles to Local Order in Thermotropic Liquid Crystals (2007) (40)
- Bond‐bias simulation of phase equilibria for strongly associating fluids (1994) (40)
- Photostability Can Be Significantly Modulated by Molecular Packing in Glasses. (2016) (40)
- The effect of the water/methane interface on methane hydrate cages: the potential of mean force and cage lifetimes. (2008) (40)
- Hydrodynamic changes of the depletion layer of dilute polymer solutions near a wall (1992) (40)
- Membrane Permeation versus Amyloidogenicity: A Multitechnique Study of Islet Amyloid Polypeptide Interaction with Model Membranes. (2017) (40)
- Spatiotemporal control of liquid crystal structure and dynamics through activity patterning (2021) (40)
- Density-of-states Monte Carlo simulation of a binary glass. (2004) (39)
- Thermodynamic Stability of β-Peptide Helices and the Role of Cyclic Residues (2006) (39)
- Molecular origins of DNA flexibility: sequence effects on conformational and mechanical properties. (2010) (39)
- Human embryonic stem cell-derived keratinocytes exhibit an epidermal transcription program and undergo epithelial morphogenesis in engineered tissue constructs. (2010) (39)
- Stimuli‐Responsive Cubosomes Formed from Blue Phase Liquid Crystals (2015) (39)
- Theoretically informed entangled polymer simulations: linear and non-linear rheology of melts (2013) (39)
- Role of Defects in Ion Transport in Block Copolymer Electrolytes. (2019) (39)
- Adaptive enhanced sampling by force-biasing using neural networks. (2018) (39)
- α-helix to β-hairpin transition of human amylin monomer. (2013) (39)
- Controlling Complex Coacervation via Random Polyelectrolyte Sequences. (2019) (38)
- Dynamics and Deformation Response of Rod-Containing Nanocomposites (2012) (38)
- Effect of sugar-phosphate mixtures on the stability of DPPC membranes in dehydrated systems. (2004) (38)
- Nonbulk Complex Structures in Thin Films of Symmetric Block Copolymers on Chemically Nanopatterned Surfaces (2012) (38)
- Tethered DNA dynamics in shear flow. (2009) (38)
- An Analysis of Biomolecular Force Fields for Simulations of Polyglutamine in Solution. (2015) (38)
- Structure of binary polymer blends: Multiple time step hybrid Monte Carlo simulations and self‐consistent integral‐equation theory (1995) (37)
- Measuring liquid crystal elastic constants with free energy perturbations. (2014) (37)
- Quantitative Three-Dimensional Characterization of Block Copolymer Directed Self-Assembly on Combined Chemical and Topographical Prepatterned Templates. (2017) (37)
- Age and structure of a model vapour-deposited glass (2016) (37)
- Modeling DNA in confinement : A comparison between the Brownian dynamics and lattice Boltzmann method (2007) (37)
- Stability of Na-, K-, and Ca-montmorillonite at high temperatures and pressures: a Monte Carlo simulation. (2005) (37)
- Nonequilibrium Simulations of Lamellae Forming Block Copolymers under Steady Shear: A Comparison of Dissipative Particle Dynamics and Brownian Dynamics (2012) (36)
- Density functional theory of molecular structure for thin diblock copolymer films on chemically heterogeneous surfaces (1999) (36)
- Polymer-solid contacts described by soft, coarse-grained models. (2011) (36)
- Mesoscale martensitic transformation in single crystals of topological defects (2017) (36)
- Electronic structure at coarse-grained resolutions from supervised machine learning (2019) (35)
- Pattern dimensions and feature shapes of ternary blends of block copolymer and low molecular weight homopolymers directed to assemble on chemically nanopatterned surfaces. (2011) (35)
- Flow induced deformation of defects around nanoparticles and nanodroplets suspended in liquid crystals (2010) (35)
- Evolution of glassy gratings with variable aspect ratios under surface diffusion. (2011) (35)
- Lamellar Structures of Symmetric Diblock Copolymers: Comparisons between Lattice Monte Carlo Simulations and Self-Consistent Mean-Field Calculations (2002) (35)
- Order-parameter-based Monte Carlo simulation of crystallization. (2006) (35)
- Origin of Anisotropic Molecular Packing in Vapor-Deposited Alq3 Glasses. (2019) (35)
- Presentation of large DNA molecules for analysis as nanoconfined dumbbells. (2013) (34)
- Drop splashing is independent of substrate wetting (2016) (34)
- Morphology of lamellae-forming block copolymer films between two orthogonal chemically nanopatterned striped surfaces. (2012) (34)
- Flux Tempered Metadynamics (2011) (33)
- Structure and stability of a model three‐helix‐bundle protein on tailored surfaces (2005) (33)
- Influence of confinement on the vibrational density of states and the Boson peak in a polymer glass. (2004) (33)
- N log N method for hydrodynamic interactions of confined polymer systems: Brownian dynamics. (2006) (33)
- Molecular modeling of vapor-deposited polymer glasses. (2014) (33)
- Characterization of the potential energy landscape of an antiplasticized polymer. (2007) (32)
- Control of Directed Self-Assembly in Block Polymers by Polymeric Topcoats (2014) (32)
- A multichain polymer slip-spring model with fluctuating number of entanglements for linear and nonlinear rheology. (2015) (32)
- Phase equilibria and clustering in size-asymmetric primitive model electrolytes (2001) (32)
- Comparison of histogram reweighting techniques for a flexible water model (1998) (32)
- Defect Annihilation Pathways in Directed Assembly of Lamellar Block Copolymer Thin Films. (2018) (32)
- Configurational temperature density of states simulations of proteins. (2003) (32)
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- Early-Stage Aggregation of Human Islet Amyloid Polypeptide (2017) (0)
- Three Dimensional Morphology of Lamellae-forming Block Copolymer Thin Films between Two Chemically Nanopatterned Surfaces (2012) (0)
- P692 Improvements in the screening of semen donors (2009) (0)
- Brownian Dynamics Simulations of Polyrotaxanes (2019) (0)
- Acousto-microfluidic Control of Liquid Crystals (2023) (0)
- Fluid equations of state (2014) (0)
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