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The Journal of Chemical Physics, ISSN 0021-9606, 07/2017, Volume 147, Issue 2, p. 020901
Journal Article
2008, Springer series in materials science, ISBN 9783540698982, Volume 113., xi, 150
Book
Soft Matter, ISSN 1744-683X, 12/2018, Volume 14, Issue 48, pp. 9847 - 985
Polymeric membranes are efficient in separating gas mixtures, typically by exploiting the sieving mechanism. What controls the sieve size of a given polymer... 
POLYMER SCIENCE | FREE-VOLUME | PERMEABILITY | PHYSICS, MULTIDISCIPLINARY | MATERIALS SCIENCE, MULTIDISCIPLINARY | DYNAMICS | CHEMISTRY, PHYSICAL | DIFFUSION | Gas transport | Gases | Membranes | Computer simulation | Upper bounds | Molecular dynamics | Cages | Stiffness | Polymers | Gas mixtures
Journal Article
Physical Review Letters, ISSN 0031-9007, 03/2014, Volume 112, Issue 10, p. 108301
Large-scale molecular dynamics simulations show that nanoparticle (NP) diffusivity in weakly interacting mixtures of NPs and polymer melts has two very... 
ANOMALOUS DIFFUSION | MOLECULAR-DYNAMICS | SUBDIFFUSION | ACTIN NETWORKS | PHYSICS, MULTIDISCIPLINARY | SEMIDILUTE | VISCOSITY | NANOSCALE | SIMULATIONS | MELTS | BREAKDOWN
Journal Article
Macromolecules, ISSN 0024-9297, 05/2013, Volume 46, Issue 9, pp. 3199 - 3214
A recurring challenge in the field of nanocomposites is to control the spatial distribution of nanoparticles (NPs) in a polymer matrix. This issue is of... 
SELF-ASSEMBLED STRUCTURES | POLYMER SCIENCE | BLOCK-COPOLYMERS | SHORT-FIBER COMPOSITES | LAYERED SILICATE NANOCOMPOSITES | NONLINEAR VISCOELASTIC BEHAVIOR | MONTE-CARLO-SIMULATION | TRANSFER RADICAL POLYMERIZATION | MAGNETIC NANOPARTICLES | MOLECULAR-DYNAMICS SIMULATION | MECHANICAL-PROPERTIES
Journal Article
Macromolecules, ISSN 0024-9297, 02/2017, Volume 50, Issue 3, pp. 714 - 731
The field of polymer nanocomposites has been at the forefront of research in the polymer community for the past few decades. Foundational work published in... 
NITROXIDE-MEDIATED POLYMERIZATION | POLYMER SCIENCE | DIELECTRIC-BREAKDOWN STRENGTH | SMALL MOLECULES | SURFACE-INITIATED POLYMERIZATION | HAIRY NANOPARTICLE ASSEMBLIES | LAYERED-SILICATE NANOCOMPOSITES | MULTIWALLED CARBON NANOTUBES | TRANSFER RADICAL POLYMERIZATION | MECHANICAL-PROPERTIES | RAFT POLYMERIZATION
Journal Article
Nature Materials, ISSN 1476-1122, 04/2009, Volume 8, Issue 4, pp. 354 - 359
It is easy to understand the self-assembly of particles with anisotropic shapes or interactions ( for example, cobalt nanoparticles or proteins) into highly... 
PHYSICS, CONDENSED MATTER | PHYSICS, APPLIED | DISPERSION | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | X-RAY-SCATTERING | RHEOLOGY | NETWORKS | STRATEGIES | ORGANIZATION | NANOCOMPOSITES | INTERFACE | AGGREGATION | MORPHOLOGY | Models, Theoretical | Nanoparticles | Microscopy, Electron, Transmission | Polymers | Molecules | Materials science | Composite materials
Journal Article
Nature Communications, ISSN 2041-1723, 04/2016, Volume 7, Issue 1, p. 11368
It is well accepted that adding nanoparticles (NPs) to polymer melts can result in significant property improvements. Here we focus on the causes of mechanical... 
GLASS-TRANSITION | NANOCOMPOSITES | NANOPARTICLE DISPERSION | FILLED ELASTOMERS | SPHERICAL NANOPARTICLES | BEHAVIOR | MULTIDISCIPLINARY SCIENCES | SEGMENTAL DYNAMICS | RHEOLOGY | SILICA | MODEL
Journal Article
Soft Matter, ISSN 1744-683X, 5/2018, Volume 14, Issue 21, pp. 4226 - 423
Molecular Dynamics simulations are used to understand the underpinning basis of the transport of gas-like solutes in deeply quenched polymeric glasses. As... 
POLYMER SCIENCE | PHYSICS, MULTIDISCIPLINARY | AMORPHOUS POLYMERS | MATERIALS SCIENCE, MULTIDISCIPLINARY | MEMBRANES | CHEMISTRY, PHYSICAL | MOLECULAR-DYNAMICS SIMULATION | DISTRIBUTIONS | TRANSITION | FREE-VOLUME | GAS | SEPARATION | LIQUIDS | Viscosity | Chain mobility | Molecular dynamics | Mass transport | Variations | Solutes | Transport | Polymers | Debye-Waller factor | Molecular chains
Journal Article
Soft Matter, ISSN 1744-683X, 1/2018, Volume 14, Issue 3, pp. 44 - 447
Membrane separations of gas mixtures strive to maximize the permeability of a desired species while keeping out undesired ones. Permeability vs. selectivity... 
Membranes | Computer simulation | Membrane permeability | Molecular dynamics | Permeability | Polymers | Diffusion | Gas mixtures
Journal Article
Soft Matter, ISSN 1744-683X, 1/2014, Volume 1, Issue 5, pp. 786 - 794
We use large-scale molecular dynamics simulations with a coarse-grained model to investigate the self-assembly of solvent-free grafted nanoparticles into thin... 
NANOCOMPOSITES | POLYMER SCIENCE | PHYSICS, MULTIDISCIPLINARY | SHAPES | MATERIALS SCIENCE, MULTIDISCIPLINARY | DYNAMICS | CHEMISTRY, PHYSICAL | COMPUTER-SIMULATIONS | LONG | Dynamical systems
Journal Article
Soft Matter, ISSN 1744-683X, 4/2012, Volume 8, Issue 18, pp. 52 - 51
Molecular dynamics simulations were used to delineate the separation dependent forces between two polymer-grafted nanoparticles in a polymer melt, the... 
POLYMER SCIENCE | PARTICLES | PHYSICS, MULTIDISCIPLINARY | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | HOMOPOLYMER MATRIX | TRANSFER RADICAL POLYMERIZATION | MOLECULAR-DYNAMICS SIMULATION | MELTS | BRUSHES | SURFACE | COMPUTER-SIMULATIONS | HYBRID NANOPARTICLES | COPOLYMER MICELLES
Journal Article
Nature Communications, ISSN 2041-1723, 07/2014, Volume 5, Issue 1, p. 4472
Colloids often crystallize into polymorphic structures, which are only separated by marginal differences in free energy. Due to this fact, the face-centred... 
CRYSTALLIZATION | POLYDISPERSE HARD-SPHERES | PARTICLES | PHASE-BEHAVIOR | MULTIDISCIPLINARY SCIENCES | GROWTH | NUCLEATION | SIMULATIONS | POLYMER MIXTURE | ENTROPY DIFFERENCE | LIQUIDS
Journal Article