(V) Computational materials science: Past, present, future

Materials science and engineering calculations were among the first applications of digital computing, and the field of computational materials science has grown in proportion to computational power – which is to say, exponentially. We shall review the history of computing in support of materials research and observe how increases in compute capacity enable scientific advances with examples drawn from multiscale modeling in support of microstructural science. The transformative impact of integrated computational materials engineering (ICME) and the Materials Genome Initiative (MGI) will be discussed, along with the current focus on artificial intelligence, machine learning, and data science. Finally, we will make some predictions about where computational materials science will and will not take us in the next decade.