Transition states are among the most important molecular structures in chemistry, critical to a variety of fields such as reaction kinetics, catalyst design, and the study of protein function. However,...

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Embedded devices are ubiquitous in areas of industrial and environmental monitoring, health and safety, and consumer appliances. A common use case is data collection, processing, and performing actions based on data analysis. Although many Internet of Things (IoT) applications use the embedded device simply for data collection, there are benefits to having more data processing done closer to data collection to reduce network transmissions and power usage and provide faster response. This work implements and evaluates algorithms for sorting data on embedded devices with specific focus on the smallest memory devices. In devices with less than 4 KB of available RAM, the standard external merge sort algorithm has limited application as it requires a minimum of three memory buffers and is not flash-aware. The contribution is a memory-optimized external sorting algorithm called no output buffer sort (NOBsort) that reduces the minimum memory required for sorting, has excellent performance for sorted or near-sorted data, and sorts on external memory such as SD cards or raw flash chips. When sorting large datasets, no output buffer sort reduces I/O and execution time by between 20% to 35% compared to standard external merge sort.

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