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Density functional theory for predicting polymeric forces against surface fouling

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Theory of physical aging in polymer glasses

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Colloid aggregation induced by oppositely charged polyions

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Dynamic yielding, shear thinning, and stress rheology of polymer-particle suspensions and gels

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Corrections to scaling and crossover from good- to θ-solvent regimes of interacting polymers

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Ideal glass transitions, shear modulus, activated dynamics, and yielding in fluids of nonspherical objects

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Structural and conformational dynamics of supercooled polymer melts: Insights from first-principles theory and simulations

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Local and Microdomain Concentration Fluctuation Effects in Block Copolymer Solutions

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Microstructure and depletion forces in polymer-colloid mixtures from an interfacial statistical associating fluid theory

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Role of Polymer Segment–Particle Surface Interactions in Controlling Nanoparticle Dispersions in Concentrated Polymer Solutions

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Phase separation in suspensions of colloids, polymers and nanoparticles: Role of solvent quality, physical mesh, and nonlocal entropic repulsion

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Thermodynamic consistency between analytic integral equation theory and coarse-grained molecular dynamics simulations of homopolymer melts

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Integrating PRISM theory and Monte Carlo simulation to study polymer-functionalised particles and polymer nanocomposites

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Coarse-Grained Molecular Dynamics Simulation of Polyethylene Terephthalate (PET)

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Inferring the Nonlinear Mechanisms of a Reversible Network

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Molecular Dynamics Simulations in Polymer Science

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Thermodynamic Analysis of a Polymerization-Induced Phase Separation in Nanoparticle−Monomer−Polymer Blends

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Multiscale modeling of coarse-grained macromolecular liquids

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Unexpected Slow Relaxation Dynamics in Pure Ring Polymers Arise from Intermolecular Interactions

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Density-functional theory for fluid mixtures of charged chain particles and spherical counterions in contact with charged hard wall: Adsorption, double layer capacitance, and the point of zero charge

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Theory of glassy dynamics in conformationally anisotropic polymer systems

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Structure and equation of state of interaction site models for disc-shaped lamellar colloids

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Dynamics of charged gibbsite platelets in the isotropic phase

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Osmotic Pressure of Salt-Free Polyelectrolyte Solutions: A Monte Carlo Simulation Study

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Long Wavelength Concentration Fluctuations and Cage Scale Ordering of Nanoparticles in Concentrated Polymer Solutions

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Coarse-graining polymers as soft colloids

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Ideal vitrification, barrier hopping, and jamming in fluids of modestly anisotropic hard objects

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Interaction of cylindrical polymer brushes in dilute and semi-dilute solution

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An integral equation theory for polymer solutions: Explicit inclusion of the solvent molecules

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Density functional theory for pair correlation functions in polymeric liquids

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Molecular Crowding Increases Knots Abundance in Linear Polymers

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Activated relaxation in supercooled monodisperse atomic and polymeric WCA fluids: Simulation and ECNLE theory

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Connectedness percolation in athermal mixtures of flexible and rigid macromolecules: Analytic theory

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Dispersion and Aggregation of Polymer Grafted Particles in Polymer Nanocomposites Driven by the Hardness and Size of the Grafted Layer Tuned by Attractive Graft–Matrix Interactions

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Structure and effective interactions in polymer nanocomposite melts: An integral equation theory study

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Many-body interactions and coarse-grained simulations of structure of nanoparticle-polymer melt mixtures

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Dispersion, Depletion, and Bridging of Athermal and Attractive Nanorods in Polymer Melt

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Influence of Architecture on Arm Dimensions and Interaction Parameters in Polybutadiene Star Polymers

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Polymer-Mode-Coupling Theory of Finite-Size-Fluctuation Effects in Entangled Solutions, Melts, and Gels. 1. General Formulation and Predictions

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Density functional theory of simple polymers in a slit pore. III. Surface tension

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On the Density Dependence of the Integral Equation Coarse-Graining Effective Potential

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Elucidation of the physical factors that control activated transport of penetrants in chemically complex glass-forming liquids

Mei, B., Sheridan, G. S., Evans, C. M., & Schweizer, K. S. (2022) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.2210094119 · Cited by 29

Density functional theory approach for coarse-grained lipid bilayers

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PRISM Theory Study of Amphiphilic Block Copolymer Solutions with Varying Copolymer Sequence and Composition

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First-principles rovibrational analysis of the H3+-molecule

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A cooperative phenomenon between polymer chain and supercritical solvent: Remarkable expansions of solvophobic and solvophilic polymers

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Coupling between bulk- and surface chemistry in suspensions of charged colloids

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Liquid state theory of the structure and phase behaviour of polymer-tethered nanoparticles in dense suspensions, melts and nanocomposites

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Comparisons between integral equation theory and molecular dynamics simulations for realistic models of polyethylene liquids

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Polymer-Mode-Coupling Theory of Finite-Size-Fluctuation Effects in Entangled Solutions, Melts, and Gels. 2. Comparison with Experiment

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Polymeric contributions to entropic surface forces

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Continuum percolation in macromolecular fluids

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Impact of Monomer Sequence, Composition and Chemical Heterogeneity on Copolymer-Mediated Effective Interactions between Nanoparticles in Melts

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Microscopic Theory of the Effect of Caging and Physical Bonding on Segmental Relaxation in Associating Copolymer Liquids

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Short time properties, dynamic fragility and pressure effects in deeply supercooled polymer melts

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Multicomponent mixture of charged hard-sphere chain molecules in the polymer mean-spherical approximation

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Effective soft-core potentials and mesoscopic simulations of binary polymer mixtures

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Influence of Attractive Functional Groups on the Segmental Dynamics and Glass Transition in Associating Polymers

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Simulated glass-forming polymer melts: Dynamic scattering functions, chain length effects, and mode-coupling theory analysis

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Interfacial Compatibilization in Ternary Polymer Nanocomposites: Comparing Theory and Experiments

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Bulk and interfacial properties of binary polymer mixtures

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Glassy Dynamics and Kinetic Vitrification of Isotropic Suspensions of Hard Rods

Yatsenko, G. S., & Schweizer, K. S. (2008) · Langmuir · doi:10.1021/la8002492 · Cited by 26

Recent contributions of statistical mechanics in chemical engineering

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Theory and Simulation of Multiphase Polymer Systems

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Coarse-graining simulation approaches for polymer melts: the effect of potential range on computational efficiency

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Salt-Induced Ordering in Lamellar Colloids

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Intermolecular structural correlations in model globular and unconcatenated ring polymer liquids

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Microdomain Scale Organization and Scattering Patterns of Associating Polymer Melts

Kolbet, K. A., & Schweizer, K. S. (2000) · Macromolecules · doi:10.1021/ma9912913 · Cited by 24

Diagrammatic analysis of correlations in polymer fluids: Cluster diagrams via Edwards’ field theory

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Static and dynamic density effects due to the finite length of polymer chains: a molecular-dynamics investigation

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Conformations of Bridging Polyelectrolytes in Poor Solvent: Single-Chain Self-Consistent Field Calculations

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An efficient method for accurate evaluation of the site–site direct correlation functions of molecular fluids

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Generalized‐Yvon–Born–Green Model of Toluene

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The role of intramolecular barriers on the glass transition of polymers: Computer simulations versus mode coupling theory

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Molecular multivalent electrolytes: microstructure and screening lengths

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The second virial coefficient of hard alkane models

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Glass transition and relaxation behavior of supercooled polymer melts: An introduction to modeling approaches by molecular dynamics simulations and to comparisons with mode-coupling theory

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Segment-scale, force-level theory of mesoscopic dynamic localization and entropic elasticity in entangled chain polymer liquids

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Variational iteration method as a kernel constructive technique

Wu, G., Bǎleanu, D., & Deng, Z.-G. (2015) · Applied Mathematical Modelling · doi:10.1016/j.apm.2014.12.032 · Cited by 20

Structure of charged colloid-polymer mixtures

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Comparative study of the crowding-induced collapse effect in hard-sphere, flexible polymer and rod-like polymer systems

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Integral equation theory study on the structure and effective interactions in star polymer nanocomposite melts

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Density fluctuation correlation length in polymer fluids

Koshy, R. R., Desai, T. G., Keblinski, P., Hooper, J. B., & Schweizer, K. S. (2003) · The Journal of Chemical Physics · doi:10.1063/1.1606673 · Cited by 20

Analytical coarse-grained description for polymer melts

Sambriski, E. J., Yatsenko, G. S., Nemirovskaya, M., & Guenza, M. (2006) · The Journal of Chemical Physics · doi:10.1063/1.2404669 · Cited by 20

Comparison of density functional theory and simulation of fluid bilayers

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From caging to Rouse dynamics in polymer melts with intramolecular barriers: A critical test of the mode coupling theory

Bernabei, M., Moreno, A. J., Zaccarelli, E., Sciortino, F., & Colmenero, J. (2011) · The Journal of Chemical Physics · doi:10.1063/1.3525147 · Cited by 19

Theoretical Study of the Structure and Assembly of Janus Rods

Tripathy, M., & Schweizer, K. S. (2012) · The Journal of Physical Chemistry B · doi:10.1021/jp308991c · Cited by 19

Density Functional Theory of Polymer Structure and Conformations

Wei, Z., Ning, N., Zhang, L., Tian, M., & Mi, J. (2016) · Polymers · doi:10.3390/polym8040121 · Cited by 20

Effects of chain stiffness and penetrant size on penetrant diffusion in simple polymers: deduced relations from simulation and PRISM theory

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Effective Interactions for Large-Scale Simulations of Complex Fluids

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Self-consistent integral equation theory for solutions of finite extensible semiflexible polyelectrolyte chains

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Long Wavelength Thermal Density Fluctuations in Molecular and Polymer Glass-Forming Liquids: Experimental and Theoretical Analysis under Isobaric Conditions

Mei, B., Zhou, Y., & Schweizer, K. S. (2021) · The Journal of Physical Chemistry B · doi:10.1021/acs.jpcb.1c06840 · Cited by 18

Monte Carlo simulation and self-consistent integral equation theory for polymers in quenched random media

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The structure of poly(ethylene oxide) liquids: comparison of integral equation theory with molecular dynamics simulations and neutron scattering

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Integral Equation Theory of Structure, Thermodynamics, and Phase Separation in low density polymer fluids.

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Application of Integral Equation Theory to Polymers in the Condensed State

Curro, J. G. (2008) · Bulletin of the American Physical Society

Integral Equation Theory for the Free Volume Distribution in Polymer Liquids

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Thermodynamics of Polymer Solution Phase Equilibria and Critical Phenomena

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Equation of State and Integral Equation Theory for Hard Sphere and Hard-Sphere Chain Fluids.

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