Materials Simulation and Design

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.