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Computational algorithms can provide novel, compelling functionality for interactive systems. However, designing such systems for users whose expertise lies outside computer science poses novel and complex challenges. This paper focuses specifically on the domain of designing interactive topic modeling visualizations to support interpretivist scholars. It describes a co-design process that involved working directly with two such scholars across two different corpora. The resultant visualization has both several similarities and key differences with other topic modeling visualizations, illustrated here using both the final design and discarded prototypes. The paper’s core contribution is an attention to how our emphasis on interpretation played out, both in the design process and in the final visualization design. The paper concludes by discussing the kinds of issues and tensions that emerged in the course of this work, as well as the ways that these issues and tensions can apply to much broader contexts of designing interactive algorithmic systems. 

Abstract Inspired by significant local distortions found near vacancies in a neutron pair distribution function analysis study (G. King et al.,Inorg. Chem.2012, 51, 13060) of Sr₂MSbO_5.5(M = Ca and Sr), this computational study finds minimum‐energy structures with these and related distortions using density functional theory (DFT) with the Perdew‐Burke‐Ernzerhof (PBE) functional as implemented in the Vienna Ab Initio Simulations Package (VASP) (G. Kresse and J. Furthmüller,Phys. Rev. B, 1996, 54, 11169; G. Kresse and J. Hafner,Phys. Rev. B, 1993, 47, 558; G. Kresse and J. Furthmüller,Comput. Mater. Sci., 1996, 6, 15). All structures were optimized using the conjugate gradient method. The global minima found for both systems featured trigonal bipyramid SbO₅structures and edge sharing with M‐centered polyhedra. However, while calcium ions occupied full and partial octahedra, the larger strontium ions were more commonly found in full and partial pentagonal bipyramids. Molecular dynamics with velocity rescaling at1200K revealed movements of the oxygen vacancy via polyhedral rotations. This work highlights the need to consider both square pyramid to trigonal bipyramid rearrangements around small ions and rotational polyhedral movements in simulating oxygen vacancy conduction in oxygen‐deficient double perovskites.