Materials science has been central to human advancement since time immemorial. There has always been curiosity around studying the processes required to extract materials, examine their structure, and ultimately tailor their properties to meet human needs. Over the last few centuries, the ability to tailor material properties was driven by...
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...