Materials Simulation and Design
A section of Materials (ISSN 1996-1944).
Section Information
The section "Materials Simulation and Design" publishes original research reports, article reviews and short communications on all aspects of inorganic and organic materials properties, advances in synthesis, processing, characterisation, testing and design of materials and engineering systems, and applications in technology, modelling and simulation of a broad range of materials including ceramics, metals, glasses, semiconductors, polymers, biological materials, composites, etc. Papers on solid materials, interfaces, and material issues associated with surfaces, defects and microstructure are of particular interest. This section aims to bring together aspects of materials science, engineering, physics, and chemistry. The topics of interest include, but are not limited to materials for:
- Addressing innovative theoretical or computational studies of material structure and behaviour, examining materials evolution at the electronic-, atomic- and meso-scale, in relation to mechanical, chemical, electronic, optical, biological or biomedical properties.
- Developing innovative multiscale modelling strategies (atomistic-continuum, transition state theory, homogenization, etc).
- Applying machine learning, learning systems, and data-driven tools for microstructural analysis, processing and properties simulation..
- Using new software-enabled methods, analysis tools, cyberinfrastructure, high-throughput computational strategies for materials characterization, discovery and design.
- Soft computing techniques such as Artificial Neural Networks for the modeling om materials mechanical chracteristics.
All submitted papers are subject to a rigorous peer-review process, and decisions regarding publication are always based on the recommendations of independent reviewers.
Editorial Board
Topical Advisory Panel
Special Issues
Following special issues within this section are currently open for submissions:
- Models and Simulation of Viscoelastic Materials (Deadline: 20 August 2026)
- Development and Research on Theoretical Chemistry in Materials (Deadline: 20 August 2026)
- Numerical Methods and Modeling Applied for Composite Structures, Second Edition (Deadline: 20 August 2026)
- The Heat Equation: The Theoretical Basis for Materials Processing (Deadline: 20 August 2026)
- Advances in the Experimentation and Numerical Modeling of Material Joining Processes (Third Edition) (Deadline: 20 August 2026)
- Simulation and Analysis of Mass and Heat Transfer Processes in Materials (Deadline: 20 September 2026)
- Modelling of Deformation Characteristics of Materials or Structures—Second Edition (Deadline: 20 September 2026)
- Multiscale Characterization and Computational Modeling/Simulation of Metallic Materials (2nd Edition) (Deadline: 20 September 2026)
- Advances in Modelling and Simulation of Materials in Applied Sciences (2nd Edition) (Deadline: 20 September 2026)
- Tribological Analysis and Predictive Modeling of Advanced Materials (Deadline: 20 September 2026)
- Advances in Numerical Modeling of Heat Storage Materials (Deadline: 20 September 2026)
- Theory and Applications of Engineering Materials in Advanced Engineering (Deadline: 20 September 2026)
- Numerical Modeling and Mechanical Properties of Fiber-Reinforced Cementitious Composites (2nd Edition) (Deadline: 10 October 2026)
- Numerical Modelling and Experimental Testing of Materials (Deadline: 20 October 2026)
- Multiscale Models and Numerical Algorithms for Heterogeneous Materials and Structures (Deadline: 20 October 2026)
- First-Principles Study on Functional Materials (Deadline: 20 October 2026)
- Multiscale Simulation and Properties of Advanced Materials: Microstructure Evolution and Mechanical Analysis (Deadline: 20 October 2026)
- Multiscale Behavior of Materials and Structures: Analytical, Computational, and Experimental Approaches (Deadline: 10 November 2026)
- Computational and Experimental Modeling of Interfaces and Joints in Advanced Materials, Second Edition (Deadline: 20 November 2026)
- Application of First-Principle Calculations for Materials Science (Deadline: 20 November 2026)
- Computational and Data-Driven Optimization of Materials for Additive Manufacturing (Deadline: 20 November 2026)
- AI-Driven Discovery in Materials and Chemistry (Deadline: 20 November 2026)
- Computational Modeling of Multifunctional Materials in Complex Systems (Deadline: 20 November 2026)
- Advances in Structural Design and Numerical Modelling of Composite Materials (2nd Edition) (Deadline: 20 November 2026)
- Mechanical Behavior and Multiscale Modeling of Advanced Structural Materials (Deadline: 10 December 2026)
- Computational Simulation for Material Applications: From Density Functional Theory (DFT) to Molecular Dynamics (MD) (Deadline: 20 December 2026)
- Machine Learning and AI in Materials Design and Discovery (Deadline: 20 December 2026)
- Modeling of Failure and Fracture of Materials and Structures in Engineering (Deadline: 20 December 2026)
- Advances in Machine Learning for the Prediction of Construction Materials Properties (Deadline: 20 January 2027)
- Artificial Intelligence in the Design and Innovation of High-Performance Concrete Materials (Deadline: 20 January 2027)
- Materials Science Advancements Through Density Functional Theory (Deadline: 20 January 2027)
- Experimental Testing and Numerical Modelling for Structural Dynamics (Deadline: 20 January 2027)
- Advances in Material Structural Analysis: Finite Element Analysis and Numerical Modelling—2nd Edition (Deadline: 20 January 2027)
- Artificial Intelligence in Materials Science and Engineering (2nd Edition)—Manufacturing Techniques (Deadline: 30 January 2027)
- Advances in Modeling and Analysis of Materials Processing (Deadline: 10 February 2027)
- Multiscale Simulation of Advanced Materials and Structures (Deadline: 20 February 2027)
- Advances in First Principles Study on Functional Materials (Deadline: 20 March 2027)
- AI-Driven Sustainable Materials Design with Applications in Composite and Structural Systems (Deadline: 20 March 2027)
