Multiscale modeling and simulation combine existing and emerging methods from diverse scientific disciplines to bridge the wide range of time and length scales that are inherent in several essential phenomena and processes in materials science and engineering. It can describe the physical and chemical properties controlling the performance of materials under real temperature and load conditions on greatly different scales. Multiscale modeling and simulation can solve many problems, including fluids, solids, polymers, biomechanics, as well as various physical and chemical phenomena. Mostly multiscale modeling has been focused on metal alloys as they have been used the most over time as reliable structural materials, it has also been employed for other materials. However, it is especially important to note the applications in basic metal alloy structures such as face center cubic aluminum alloys, hexagonal close pack magnesium alloys, and body center cubic iron and steel-based alloys.

This Special Issue will discuss all research fields related to the general topic of linking structural characteristics and material properties on various length or time scales. We welcome all researchers in this field to submit original research and review articles.

Potential topics include but are not limited to the following:

• Finite element analysis and ab initio method
• Biomechanical analysis
• Molecular dynamics simulation
• Density functional theory
• Multiscale modelling
• Machine learning
• Microstructure characterization
• Multilevel directly computable chemistry
• Structural material chemistry