Accelerating Relativistic Exact-Two-Component Density Functional Theory Calculations with Graphical Processing Units.

Numerical integration of the exchange-correlation potential is an inherently parallel problem that can be significantly accelerated by graphical processing units (GPUs). In this Letter, we present the first implementation of GPU-accelerated exchange-correlation potential in the GauXC library for relativistic, 2-component density functional theory. By benchmarking against copper, silver, and gold coinage metal clusters, we demonstrate the speed and efficiency of our implementation, achieving significant speedup compared to CPU-based calculations.

MXP: Modular eXpandable framework for building bioinformatics Pipelines.

Pipelines are a natural tool in bioinformatics applications. Virtually any meaningful processing of biological data involves the execution of multiple software tools, and this execution must be arranged in a coherent manner. Many tools for the building of pipelines were developed over time and used to facilitate work with increasing volume of bioinformatics data.

The Effect of Hydrothermal, Microwave, and Mechanochemical Treatments of Tin Phosphate on Sorption of Some Cations.

The samples of precipitated tin (IV) phosphate, modified using hydrothermal, microwave, and mechanochemical procedures, were studied in the process of Cs(I), Sr(II), and U(VI) ion sorption. The initial and modified samples were investigated before and after sorption using XRD, XRF, FTIR, and nitrogen adsorption-desorption. It was found that the modification procedures transformed the micro-mesoporous structure of the initial sample into a meso-macroporous structure.

Decomposition of disparities in life expectancy with applications to administrative health claims and registry data.

Research shows that geographic disparities in life expectancy between leading and lagging states are increasing over time while racial disparities between Black and White Americans have been going down. In the 65+ age strata morbidity is the most common cause of death, making differences in morbidity and associated adverse health-related outcomes between advantaged and disadvantaged groups an important aspect of disparities in life expectancy at age 65 (LE65). In this study, we used Pollard's decomposition to evaluate the disease-related contributions to disparities in LE65 for two types of data with distinctly differing structures: population/registry and administrative claims.

Forecasting prevalence and mortality of Alzheimer's disease using the partitioning models.

Objectives: Health forecasting is an important aspect of ensuring that the health system can effectively respond to the changing epidemiological environment. Common models for forecasting Alzheimer's disease and related dementias (AD/ADRD) are based on simplifying methodological assumptions, applied to limited population subgroups, or do not allow analysis of medical interventions. This study uses 5 %-Medicare data (1991-2017) to identify, partition, and forecast age-adjusted prevalence and incidence-based mortality of AD as well as their causal components.