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:
- Modelling of Viscoelastic Materials and Mechanical Behavior (2nd Edition) (Deadline: 10 April 2025)
- Advances in Density Functional Theory (DFT) Studies of Solids (Second Volume) (Deadline: 20 April 2025)
- Advances in the Experimentation and Numerical Modeling of Material Joining Processes (Second Edition) (Deadline: 20 April 2025)
- Advances in Structural Design and Numerical Modelling of Composite Materials (Deadline: 20 April 2025)
- Advanced Finite Element Analysis and Fracture Control in Steel Pipelines Under Hydrogen Influence (Deadline: 10 May 2025)
- Numerical Modeling and Mechanical Properties of Fiber-Reinforced Cementitious Composites (Deadline: 20 May 2025)
- Extreme Mechanics in Multiscale Analyses of Materials (Volume II) (Deadline: 20 May 2025)
- Theoretical and Computational Modeling of Material Surfaces and Interfaces (Deadline: 20 May 2025)
- Artificial Intelligence and Machine Learning for Material Design, Discovery, and Optimization (Deadline: 20 May 2025)
- System Design and Materials for Accelerators and Compact Accelerator-Driven Neutron Sources (Deadline: 20 May 2025)
- The Combined Finite–Discrete Element Method—Theory, Modeling and Applications (Deadline: 10 June 2025)
- Uncertainty Analysis of Thermal Protection Materials (Deadline: 20 June 2025)
- Development and Research on Theoretical Chemistry in Materials (Deadline: 20 June 2025)
- Innovations in Modelling and Simulations: Bridging Microstructures to Macroscopic Properties in Advanced Materials (Deadline: 20 June 2025)
- Advances in Modelling and Simulation of Materials in Applied Sciences (Deadline: 20 July 2025)
- Materials and Machine Learning-Related Challenges for Sensors (Deadline: 20 July 2025)
- Modeling and Simulations of the Dynamic Mechanical Performance of Materials and Structures (Deadline: 20 July 2025)
- Computational Tools for Predicting Mechanical Properties of Materials (Deadline: 20 July 2025)
- Modelling, Simulation and Optimisation of Non-Typical and Innovative Materials (Deadline: 31 July 2025)
- Modeling and Optimization of Material Properties and Characteristics (Deadline: 20 August 2025)
- Advances in Material Structural Analysis: Finite Element Analysis and Numerical Modelling (Deadline: 20 August 2025)
- Microstructure and Defect Simulation during Solidification of Alloys (Deadline: 20 August 2025)
- Modelling of Deformation Characteristics of Materials or Structures (Deadline: 20 August 2025)
- Mesoscale Modelling of Materials Processing and Performance (Deadline: 20 September 2025)
- Machine Learning for Materials Design (Deadline: 20 September 2025)
- Combined Fatigue and Multi-Scale Simulation (Deadline: 20 September 2025)
- Computational and Experimental Methodologies for Advanced and Sustainable Structural Materials (Deadline: 20 September 2025)
- Multiscale Behavior of Materials and Structures: Analytical, Computational, and Experimental Approaches (Deadline: 30 September 2025)
- Finite Element Analysis and Fracture Control in Steels and Non-ferrous Alloys (Deadline: 20 October 2025)
- Computational and Experimental Modeling of Interfaces and Joints in Advanced Materials (Deadline: 20 October 2025)
- Selected Papers from the 14th Southern Conference on Computational Mechanics (Deadline: 20 October 2025)
- Artificial Intelligence in Materials Science and Engineering (Deadline: 30 October 2025)
- Ab Initio Modeling of 2D Semiconductors and Semimetals (Deadline: 20 November 2025)
- Experimental Testing and Numerical Modelling for Structural Dynamics (Deadline: 20 November 2025)
- Multiscale Characterization and Computational Modeling/Simulation of Metallic Materials (Deadline: 20 December 2025)
- Programmable Materials: From Molecular to Extended Systems (Deadline: 31 December 2025)
- Bioinspired Materials: From Concepts to Applications (Deadline: 1 January 2026)
