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Visualization of position-time series data from molecular dynamics simulations of a material has to render atomic trajectories, and relevant structural and dynamical information. Clutter/occlusion associated with overlapping trajectories becomes serious even for moderate data sizes. We present an adaptive hierarchical scheme for merging multiple positions along trajectories to significantly reduce...
We perform a detailed visualization-based analysis of atomic-position series data for model basalt melt obtained from first-principles (quantum mechanical) molecular dynamics simulations. To gain insight into the short- and mid-range order of the melt structure, we extract and visualize the details of radial distribution function (RDF) and coordination environment. The first peaks of all partial RDFs...
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