Computer simulations

The relationship between computer simulation and materials science is complex, intimate, and symbiotic. One of the most important fields of study within materials science has been the study of semiconducting materials, which are precisely those materials used to build computer processors. Likewise, many early developments in computer simulation techniques arose initially as solutions to problems of modeling the physical and electronic behaviors of materials. This entry chronicles the joint evolution of computational techniques and theories of materials from the mid-twentieth century through the early twenty-first century….