In the 1960s and 1970s, women in the workplace were often passed over for promotion, not given jobs, or assigned part-time work, because employers, often men, believed that a woman’s role at home was more dominating than her potential as an employee. It was often assumed that working women were...
In this work, metal-organic frameworks (MOFs) are computationally represented, generated, and evaluated. The organic linker molecules are represented as graphs and use graph grammars where the atoms are represented by nodes and the bonds are represented by arcs. The grammar rules that dictate the graph generation process work on the...
A stable-isotope stratigraphy at Site 846 (tropical Pacific, 3°06'S, 90°49'W, 3307 m water depth), based on the benthic
foraminifers Cibicides wuellerstorfi and Uvigerina peregrina, yields a high-resolution record of deep-sea δ¹⁸O and δ¹³C over the
past 1.8 Ma, with an average sampling interval of 3 k.y. Variance in the δ¹⁸O...
Metal-organic frameworks are promising novel materials for gas storage and separations because of their extremely high internal surface area and their modular structures based on metal nodes and organic linker molecules. Due to their modular design, it is possible to finely tune a structure for optimal storage of a specific...
Metal Organic Framework Structures (MOFs) have shown great promise for use in gas storage. Computer simulations have been touted as a method to identify strong candidate molecules for experimental research. This project assessed the relationship between computer simulations of methane absorption and experimental gas absorption. We acquired experimental data and...
The utility of high-throughput, computational screening has become an invaluable asset to the field of materials science. In the hierarchy of computational methods, the most accurate methods are often the most computationally expensive. However, as both the efficiency and fidelity of numerical techniques advance, high-quality screening of large materials datasets...
Uses for materials with a large surface area and high porosity have grown sig-nificantly in recent years. Porous materials have found usage in applications such as separation, gas storage, sensing, purification and more, prompting researchers to find and discover numerous new porous materials to suit a specific purpose. Hundreds of...
Pesticides benefit agriculture by increasing crop yield, quality, and security. However, pesticides may inadvertently harm bees, which are valuable as pollinators. Thus, candidate pesticides in development pipelines must be assessed for toxicity to bees.
Leveraging a data set of 382 molecules with toxicity labels from honey bee exposure experiments, we...