R.W. Gammon, E. Courtens, et al.
Physical Review B
This article contains the author's personal assessment of the state of the art of computational materials science and the major current frontiers in computational research. The author advocates a systematic link from microscopic theories through the mesoscopic regime to the macroscopic continuum. Such an approach can form the basis for "theoretical materials synthesis and processing" and a first-principles theory of mechanical properties, including plasticity. © 1994.