OOIR: Observatory of International Research

Papers

(The TQCC of Macromolecular Theory and Simulations is 3. 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 2020-05-01 to 2024-05-01.)

Article	Citations
Benchmarking Stochastic and Deterministic Kinetic Modeling of Bulk and Solution Radical Polymerization Processes by Including Six Types of Factors Two	32
Translating Simulated Chain Length and Molar Mass Distributions in Chain‐Growth Polymerization for Experimental Comparison and Mechanistic Insight	19
Binary Blends of Diblock Copolymers: An Effective Route to Novel Bicontinuous Phases	15
NNI‐SMOTE‐XGBoost: A Novel Small Sample Analysis Method for Properties Prediction of Polymer Materials	15
Using a Multiscale Modeling Approach to Correlate Reaction Conditions with Polymer Microstructure and Rheology	15
Binary Blends of Diblock Copolymers: An Efficient Route to Complex Spherical Packing Phases	14
Mechanical and Damping Properties Analyses of Small Molecular Modifiers/Nitrile‐Butadiene Rubber Composite: Molecular Dynamics Simulation	12
Translating Simulated Chain Length and Molar Mass Distributions in Chain‐Growth Polymerization for Experimental Comparison and Mechanistic Insight	12
Simulation of Polymer Melt Injection Molding Filling Flow Based on an Improved SPH Method with Modified Low‐Dissipation Riemann Solver	11
Stochastic Modeling of Poly(acrylate) Distributions Obtained by Radical Polymerization under High‐Temperature Semi‐Batch Starved‐Feed Conditions: Investigation of Model Predictions versus Experimental	10
Prediction of the Oligomer Distribution after Degradation of (Co)Polymers with Inserted Break Points	8
Ghost‐Mirror Approach for Accurate and Efficient Kinetic Monte Carlo Simulation of Seeded Emulsion Polymerization	8
Piston Compression of Semiflexible Ring Polymers in Channels	8
Coarse‐Grained Molecular Simulation of Polymers Supported by the Use of the SAFT‐γ$\gamma$ Mie Equation of State	8
Polymer Vesicles in a Nanochannel under Flow Fields: A DPD Simulation Study	8
Exploiting (Multicomponent) Semibatch and Jacket Temperature Procedures to Safely Tune Molecular Properties for Solution Free Radical Polymerization of n‐Butyl Acrylate	8
Molecular Dynamics Simulation of a Superhydrophobic Cellulose Derivative Targeted for Eco‐Friendly Packaging Material	7
An Improved PO3G Model–Accounting for Cyclic Oligomers	7
Predicting Polyethylene Molecular Weight and Composition Distributions Obtained Using a Multi‐Site Catalyst in a Gas‐Phase Lab‐Scale Reactor	7
A Comparative Assessment of Human Serum Proteins Interactions with Hemodialysis Clinical Membranes using Molecular Dynamics Simulation	7
Dimensions of Crosslinked Polymers without Rings	7
Molecular Weight Distribution in Di Metal Cyanide Catalyzed Polymerization 2: Numerical Simulation of Chain Activation/Deactivation and Diffusion Effects	7
Conformation and Diffusivity of Ring and Linear Polyethylene Oxide in Aqueous Solution: Molecular Topology Dependent Concentration Effects and Comparison with Experimental Data	6
A New Cylindrical Structure from ABCBD Pentablock Quadpolymer Melt Studied by Monte Carlo Simulation	6
Modeling Study of Propane/Propylene Membrane Separation Using CFD Method	6

Effect of Cross‐Linked Structures on Mechanical Properties of Styrene‐Butadiene Rubber via Molecular Dynamics Simulation	6
Using Artificial Intelligence Techniques to Design Ethylene/1‐Olefin Copolymers	6
Size and Shape Characteristics of Polystyrene and Poly(ethylene oxide) Star Polymer Melts Studied By Atomistic Simulations	6
Molcular Weight Distribution in Di Metal Cyanide Catalyzed Polymerization 1: Fundamental Distribution for Length Dependent Propagation Constant and Segments	6
Hugoniostat and Direct Shock Simulations in cis‐1,4‐Polybutadiene Melts	5
A Study of a Novel Synergy Definition for Ternary CB/CNT Composites Suggesting a Representative Model for CB and CNT	5
Physical Origin of Distinct Mechanical Properties of Polymer Tethered Graphene Nanosheets Reinforced Polymer Nanocomposites Revealed by Nonequilibrium Molecular Dynamics Simulations	5
Deterministic and Stochastic Parameter Estimation for Polymer Reaction Kinetics I: Theory and Simple Examples	5
DPD Simulations of Homopolymer–Copolymer–Homopolymer Mixtures: Effects of Copolymer Structure and Concentration	5
Self‐Assembly of Nonfrustrated ABCBA Linear Pentablock Terpolymers	5
Finite Element Modeling of a Viscous Fluid Flowing through an External Gear Pump	5
Analysis of the Competition between Cyclization and Linear Chain Growth in Kinetically Controlled A₂ + B₂ Step‐Growth Polymerizations Using Modeling Tools	5
Simple Model for the Spreading of Inks in Bioprinting—Revealing Relevant Scaling Laws—Part I Theory	5
Kinetic Monte Carlo Tool for Kinetic Modeling of Linear Step‐Growth Polymerization: Insight into Recycling of Polyurethanes	5
Effect of Initiator Structure on Thiol‐Ene Polymerization: A DFT Study	5
Fraenkel Springs as an Efficient Approximation to Rods for Brownian Dynamics Simulations and Modeling of Polymer Chains	5
The Influence of Microstructure on Sound Absorption of Polyurethane Foams through Numerical Simulation	4
On the Possibility of Different Reactivity of Growing Radicals in Controlled and Free Radical Polymerizations. The Concept of the Reaction Cage in Controlled Radical Polymerization	4
A Multiscale Approach for Estimating Permeability Properties of Polymers with Complex Aromatic Backbones: A Case Study on Diffusivity of Small Gas Molecules in Polyphenylene Ether	4
Coalescence of Sessile Polymer Droplets: A Molecular Dynamics Study	4
Toward Olefin Multiblock Copolymers with Tailored Properties: A Molecular Perspective	4
Refining Reactivity Ratios in the Copolymerization of Styrene and Methyl Methacrylate by EasySpin/MATLAB Simulations and Electron Paramagnetic Resonance Spectroscopy	4
Mesoscale Simulation on the Hydrated Morphologies of SPEEK Membrane	4
Linear Relationship between Mean‐Square Radius of Gyration and Graph Diameter, and Its Application to Network Polymers	4
Critical Assessment of RAFT Equilibrium Constants: Theory Meets Experiment	4
Molecular Weight Distribution in Ring‐Opening Polymerization of Propylene Oxide Catalyzed by Double Metal Complex: A Model Simulation	4
On the Effective Lifetime of Reversible Bonds in Transient Networks	4
Finite Element Analysis of Stress Wave Propagation in Adhesive Joints under Low Speed Impact Tensile Loadings	3
Compositional Distribution of Binary Living Copolymers and Their End Sequences	3
Diagnosing Parameter Estimability Problems in Polymerization Models	3
Accounting for Temperature Effects When Predicting Molecular Weight and Composition Distribution for Gas‐Phase Polyethylene Produced using a Multisite Catalyst	3
Dimensions of Network Polymers	3
Mathematical Modeling of Free Radical Solution Terpolymerization Reactions in a Batch and Continuous Flow Stirred Tank Reactors	3
Modeling Local Oscillatory Shear Dynamics of Functionalized Polymer Grafted Nanoparticles	3
Adsorption of Linear and Cyclic Multiblock Copolymers from Selective Solvent. A Monte Carlo Study	3
How Many Monodisperse Fractions are Required to Discretize Polydisperse Polymers?	3
Influence of Process Parameters on the Gas Phase Polymerization of Ethylene: RSM or ANN Statistical Methods?	3
Coarse‐Grained Simulations of the Impact of Chain Length and Stiffness on the Formation and Aggregation of Polyelectrolyte Complexes	3
Study on the Thermal Stability of Urea‐Formaldehyde Resin Microcapsules with Nanosilica Incorporation by Molecular Dynamics Simulation and Experiments	3
Kinetic Monte Carlo Simulations as a Tool for Unraveling the Impact of Solvent and Temperature on Polymer Topology for Self‐Initiated Butyl Acrylate Radical Polymerizations at High Temperatures	3
Predicting Multi‐Component Phase Equilibria of Polymers using Approximations to Flory–Huggins Theory	3
Parameter Estimation in a PO3G Model with Temperature Effects	3
Reduced Plastic Dilatancy in Polymer Glasses	3
Stochastic Resonance of a Confined Flexible Polymer	3
Numerical Investigations of Perfectly Mixed Condition at the Inlet of Free Radical Polymerization Tubular Microreactors of Different Geometries	3
Dimensions of Network Polymers: Universal Relationship for the Ratio between Mean‐Square Radius of Gyration and Graph Diameter	3