The Influence of Community Areas, Neighborhood Clusters, and Street Segments on the Spatial Variability of Violent Crime in Chicago

Objectives: The influence of three hierarchical units of analysis on the total spatial variability of violent crime incidents in Chicago is assessed. This analysis seeks to replicate a recent study that found street segments, rather than neighborhood units of analysis, accounted for the largest share of the total spatial variability of crime in The Hague, Netherlands (see Steenbeek and Weisburd J Quant Criminol. doi:10.1007/s10940-015- 9276-3, 2015). Methods: We analyze violent crime incidents reported to the police between 2001 and 2014. 359,786 incidents were geocoded to 41,926 street segments nested within 342 neighborhood clusters, in turn nested within 76 community areas in Chicago. Linear mixed models with random slopes of time were estimated to observe the variance uniquely attributed to each unit of analysis. Results: Similar to Steenbeek and Weisburd, we find 56–65 % of the total variability in violent crime incidents can be attributed to street segments in Chicago. City-wide reductions in violence over the observation period coincide with increases in the spatial variability attributed to street segments and decreases in the variability attributed to both neighborhood units. Conclusions: Our results suggest that scholars interested in understanding the spatial variation of crime across urban landscapes should be focused on the small places that comprise larger geographic areas. The next wave of ‘‘neighborhood-effects’’ research should explore the role of hierarchical processes in understanding crime variation within larger areas

What Are the Best Materials To Separate a Xenon/Krypton Mixture?

Accelerating progress in the discovery and deployment of advanced nanoporous materials relies on chemical insight and structure–property relationships for rational design. Because of the complexity of this problem, trial-and-error is heavily involved in the laboratory today. A cost-effective route to aid experimental materials discovery is to construct structure models of nanoporous materials in silico and use molecular simulations to rapidly test them and elucidate data-driven guidelines for rational design. For example, highly tunable nanoporous materials have shown promise as adsorbents for separating an industrially relevant gaseous mixture of xenon and krypton. In this work, we characterize, screen, and analyze the Nanoporous Materials Genome, a database of about 670 000 porous material structures, for candidate adsorbents for xenon/krypton separations. For over half a million structures, the computational resources required for a brute-force screening using grand-canonical Monte Carlo simulations of Xe/Kr adsorption are prohibitive. To overcome the computational cost, we used a hybrid approach combining machine learning algorithms (random forests) with molecular simulations. We compared the results from our large-scale screening with simple pore models to rationalize the strong link between pore size and selectivity. With this insight, we then analyzed the anatomy of the binding sites of the most selective materials. These binding sites can be constructed from tubes, pockets, rings, or cages and are often composed of nondiscrete chemical fragments. The complexity of these binding sites emphasizes the importance of high-throughput computational screenings to identify optimal materials for a given application. Interestingly, our screening study predicts that the two most selective materials in the database are an aluminophosphate zeolite analogue and a calcium based coordination network, both of which have already been synthesized but not yet tested for Xe/Kr separations