MRI/RUI: Acquisition of a Beowulf supercomputer for physical science research

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This project, acquiring a Beowulf supercomputer for research and research training in Physics and Chemistry, supports activities in three related research groups: Cardiac Dynamics, Belousov-Zahobontinsky (BZ) dynamics/excitable media group, and Molecular dynamics.The first group studies initiation, evolution, and interaction of scroll waves in an extended system whose cells possess specific dynamic properties within the anatomies of real human and animal hearts. Additionally, this group studies the effect of tissue size on the stability of scroll waves employing computer simulations and models (anatomical, cellular electrophysiology, and means of analyzing wave activity). The second group, often employing partial differential equations with a broad range of temporal and spatial scales, explores mechanisms for the initiation of activity in excitable media, in the BZ reaction (the best-known experimental example of pattern formation in a simple system). This research entails two simulations: First, simulation of the full spatio-temporal dynamics of the onset of spontaneous activations, comparison of macroscopic dynamics with experimental observations, and determination of whether microscopic fluctuations can affect timing in the full reaction-diffusion system nucleating targets. Second, simulations of the full spatio-temporal dynamics of the onset of activations in the high-f regime and in the heart will be used to determine how mechanisms depend upon the excitable medium. In the projects involving proteins, the last group involves several projects in computational chemistry that work in molecular modeling. The Beowulf supercomputer is expected to contribute to visualize large molecules and perform molecular dynamic calculations on them. Its enhanced computational power and speed augment the projects involving quantum mechanical calculations. The molecules in the excited state electronic properties of substituted chalcones are of interest as potential non-linear optical materials and roles as antioxidants.The project involves research training in an undergraduate institution. Moreover, training for teachers in community college will take place