Macromolecular Theory and Simulations

Papers
(The TQCC of Macromolecular Theory and Simulations is 2. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2022-05-01 to 2026-05-01.)
ArticleCitations
Numerical Modeling of the Blend Morphology Evolution in Twin‐Screw Extruders28
Issue Information: Macromol. Theory Simul. 6/202522
Simulation on Critical Frequency of Polymer in Electrostrictive Properties19
Front Cover: Macromol. Theory Simul. 6/202318
Modeling of Roll Coating Phenomena of Magnetohydrodynamic Hybrid Nanomaterial Polymer Under Lubrication Theory13
Potential of Mean Force of Short‐Chain Surface Adsorption using Non‐Uniform Sampling Windows for Optimal Computational Efficiency12
Intrinsic Behavior of the Internal Energy, Enthalpy, Helmholtz Free Energy and Gibbs Free Energy for the Polyethylene in the Process When Two of Thermodynamic Factors, Pressure, Volume, Temperature an10
Issue Information: Macromol. Theory Simul. 1/202610
Numerical Characterization of Mixing in a Kneading Element Channel of Dual‐Speed Corotating Non‐Twin Screws Using Lagrangian Statistics Method10
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Rheological Equivalent Circuit Model Using Electrochemical Impedance Analysis7
Kelvin's Tetrakaidecahedron as a Wigner–Seitz Cell Found in Spherically Microphase‐Separated BCC Lattice from AB Diblock Copolymer by Monte Carlo Simulation7
Computational Modeling of the Continuous Separation of a Molten Polymer Mixture in a Centrifugal Field7
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Intramolecular Hydrogen Bonding in DIBMA Model Compounds7
Issue Information: Macromol. Theory Simul. 5/20257
Masthead: Macromol. Theory Simul. 4/20246
The z‐Average of Cross‐Linked Polymers6
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Emergence and Stability of Hierarchical Structures under Cylindrical Confinement5
The Logistic Function in Glass Transition Models of Amorphous Polymers: A Theoretical Framework for Isobaric Cooling Processes5
Microstructural Simulations of Polymer Composites by a Viscoelastic Spring Lattice Model5
Modeling the Interface Between Phases in Dense Polymer‐Carbon Black Nanoparticle Composites by Dielectric Spectroscopy: Where Are We Now and What are the Opportunities?5
Fluid to Solid Transition in Colloidal Suspensions of Thermo Responsive Core–Shell Soft Particles Interacting through Multi‐Hertzian Pair‐Potential: A Monte Carlo Study5
Effect of In‐Plane Electric Field on the Microphase Separation in Thin Films of a Symmetric ABA Triblock Copolymer5
Dissipative Particle Dynamics Study on the Phase Region of Spatial Gradient Materials Produced by Photoinduced Isomerization5
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Molecular Dynamics Simulation Study on Thermal Transport in Graphyne/Polyaniline Composite System5
Quantified Phase Diagram of PCL/PDO Using the Cole–Cole Plot Analysis5
Do Entangled Polymer Chains Reptate?5
Front Cover: Macromol. Theory Simul. 4/20245
Molecular Dynamics Simulation for Separation Performance of PDMS/Fluorosilane Membrane with Different Mass Ratios in Acetone–Water Mixture5
Issue Information: Macromol. Theory Simul. 3/20255
Linear Relationship between Mean‐Square Radius of Gyration and Graph Diameter, and Its Application to Network Polymers4
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Masthead: Macromol. Theory Simul. 5/20234
Modeling the Interface Between Phases in Dense Polymer‐Carbon Black Nanoparticle Composites by Dielectric Spectroscopy: Where Are We Now and What are the Opportunities?4
Ligand‐Mediated Interaction of Nanoparticles with Lipid Membranes4
Accounting for Temperature Effects When Predicting Molecular Weight and Composition Distribution for Gas‐Phase Polyethylene Produced using a Multisite Catalyst4
Empirical Determination of the Thermodynamic Equilibrium Fluctuation of Volume, Pressure, Entropy, and Temperature for Polyethylene Based on the Pressure‐Volume‐Temperature‐Entropy Equation of State4
Coalescence of Sessile Polymer Droplets: A Molecular Dynamics Study3
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Volumetric and Energetic Properties of Polystyrene and Polyethylene Oxide Affected by Thermal Cycling3
Isolating the Effect of Crosslink Densities on Mechanical Properties of Isotactic Polypropylene Using Dissipative Particle Dynamics3
A Method to Accurately Predict Fatigue Life of Carbon Black‐Filled Natural Rubber Components Incorporating Self‐Heating Temperature3
The Influence of Length‐Diameter Ratio of Cellulose on Friction Characteristics of Screw Surface Investigated by EDEM Simulation2
Comparison of Linear and Ring Polymers Partitioning into Pores Using Random Walks and Self‐Avoiding Walks Models2
Molecular Simulation Study on Thermal Property and Electron Property of Polypyrrole/ Nitrogen‐modified Graphene Composites2
Step‐Growth Polymerized Systems of type “A3 + A1”: A Method to Calculate the Bivariate (Molecular size) × (Square Radius of Gyration) Number Distribution2
Theories of the Effects of Copolymer Addition on the Interfacial Tension between Polymer Blend Components: A Review2
Investigations of Microstructures and Properties of SPEEK‐[BMIm][OTf] Ionic Liquid Composite Membrane for Fuel Cells2
Improving Mixing by Changing Topology Through Intermeshed Perturbation Rings in A Co‐Rotating Non‐Twin Screw Channel2
Masthead: Macromol. Theory Simul. 3/20232
Polymer Vesicles in a Nanochannel under Flow Fields: A DPD Simulation Study2
Issue Information: Macromol. Theory Simul. 2/20262
Fraenkel Springs as an Efficient Approximation to Rods for Brownian Dynamics Simulations and Modeling of Polymer Chains2
Efficient Computation of Single‐Chain Partition Functions in Field‐Theoretic Simulations of Polymers With Nested Tree‐Like Topologies2
Front Cover: Macromol. Theory Simul. 1/20252
Rheological and Thermal Behavior of Calendering Process of Hybrid Nanofluid: A Magnetohydrodynamic Thin Film Analysis2
Masthead: Macromol. Theory Simul. 5/20222
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