Modern design practices rely more and more on computer simulations due to their low cost compared with physical experiments. However, it is still an elusive task to fully unleash the advantages of the simulation models while mitigating their disadvantages for designing complex engineering systems. In simulation-based design, computer simulation models...
The heart of computational materials science lies in providing fundamental insights and understanding of materials behavior and properties across different scales. The significance of this task is highlighted by the Materials Genome Initiative and the emergence of computational tools and frameworks such as materials by design, microstructure sensitive design, and...