Polymer Theory and Simulation
A section of Polymers (ISSN 2073-4360).
Section Information
This section "Polymer Theory and Simulation" of Polymers aims to rapidly publish high-quality contributions that report on novel research findings regarding computational and theoretical studies of polymeric systems in both equilibrium and nonequilibrium, including complex and composite materials containing macromolecules. The focus is not only on the properties and features of model systems, but also includes developments in multiscale modeling, constitutive equations, kinetic theory; efficient algorithms, structure–property relationships, machine learning, and polymerization kinetics. While purely computational studies should help to uncover or predict microscopic mechanisms underlying macroscopic measurable phenomena, theoretical studies should result in novel methods, solutions, or approximations, and may be supplemented by numerical investigation. Both types of contributions should ideally confront their outcomes with existing experimental data, or suggest additional experiments.
Keywords
- Density functional theory
- First principle calculation
- Molecular dynamics
- Brownian dynamics
- Dissipative particle dynamics
- Lattice models
- Finite element analysis
- Monte Carlo methods
- Field-theoretic approaches
- Hybrid methods
- Melts
- Solutions
- Mixtures
- Blends
- Brushes
- Networks
- Gels
- Nanocomposites
- Entanglements
- Coarse-graining
- Phase behavior
- Turbulence
- Nonequilibrium thermodynamics
- Machine learning
Editorial Board
Special Issues
Following special issues within this section are currently open for submissions:
- Waterborne Polymer (Deadline: 30 January 2021)
- From Polymers to Plastics: Materials, Processing, and Recycling (Deadline: 31 January 2021)
- Functional Polymers for Electrochemical Applications (Deadline: 1 February 2021)
- Modeling and Simulation of Polymer Nanocomposites (Deadline: 15 February 2021)
- Moving Beyond the Ideas: Design, Modeling and Simulation to Engineer Products With Tailored Properties (Deadline: 20 February 2021)
- Kinetics of Polymerization Reaction (Deadline: 25 February 2021)
- Development of Sustainable Polymer Materials from Renewable and Waste Resources (Deadline: 25 February 2021)
- Fire and Polymeric Materials/Systems Response in Building and Construction Industry (Deadline: 28 February 2021)
- Dispersion, Assembly and Crystallization of Functional Components within Polymer Materials (Deadline: 28 February 2021)
- Building the Future: Data-Infused Constitutive Modeling of Soft Material (Deadline: 10 March 2021)
- Polymers for Biomedical Modeling (Deadline: 15 March 2021)
- Nanoparticle Functionalization by Polymers: Methods and Applications (Deadline: 25 March 2021)
- Fundamentals in Polymers Revealed by Non-destructive Methods (Deadline: 25 March 2021)
- Multi-scale Mechanics of Polymer Composites: Addressing Irregular and Non-periodic Architectures (Deadline: 31 March 2021)
- Conducting Polymer-Based Hybrid Nanomaterials (Deadline: 10 April 2021)
- Luminescent Polymers From Theory to Application (Deadline: 20 April 2021)
- State-of-the-Art Polymer Science and Technology in Romania (2020,2021) (Deadline: 20 April 2021)
- Modelling and Simulation of Complex Fluids (Deadline: 20 May 2021)
- Photopolymer Materials for Optical Applications (Deadline: 20 May 2021)
- Polymer Based Electronic Devices and Sensors (Deadline: 31 May 2021)
- Polymers for 3D Printing: Current Advances and Future Perspectives (Deadline: 31 May 2021)
- Theory and Simulation of Polymer Dynamics (Deadline: 11 June 2021)
- Simulation Methods of Polymers Involving Field Theory (Deadline: 15 June 2021)
- Polymers Topology (Deadline: 21 June 2021)
- Artificial Intelligence in Polymer Science and Chemistry (Deadline: 30 June 2021)
- Self-Assembly of Block Copolymers: Preparation of Nanostructured Materials for Industrial and Biomedical Applications (Deadline: 30 June 2021)
- Structure, Self-Assembly, and Emerging Functionality of Polymers and Their Composites (Deadline: 30 June 2021)
- Forensic Engineering of Advanced Polymer Materials (Deadline: 20 July 2021)
- Fire Safety of Polymers (Deadline: 20 July 2021)
- Polymer Interface and Its Characterization (Deadline: 20 August 2021)
- Polymers and the Circular Economy Model (Deadline: 20 August 2021)
- Modelling and Simulations in Polymer Surface Chemistry (Deadline: 31 August 2021)
- Molecular Simulations for Structure-Property Relationships in Novel Polymeric Materials (Deadline: 30 September 2021)
- Molecular Simulation of Proteins with Simplified Models (Deadline: 30 September 2021)
- Theory and Simulation of Amphiphilic Polymers (Deadline: 30 November 2021)
Topical Collection
Following topical collection within this section is currently open for submissions: