ABSTRACT
In this chapter, we address the issue of reproducibility of computation in the physical sciences. We focus on disciplines concerned with chemistry, crystallography, and materials science, although the strategies, and the Declaratron software we describe, have much greater applicability. Here, we will concentrate on the computation of the properties of materials, where there is a long tradition of reproducibility. Much of this is based on the almost Platonic identity of materials: to a first practical approximation, sodium chloride crystals have the same properties wherever and however they are produced. This consistency of properties means that suppliers can offer materials for sale with reproducible physical and chemical properties.
