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Computer Sciences

LSU Master's Theses

2017

First-Principles Molecular Dynamics

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Interactive Web-Based Visualization Of Atomic Position-Time Series Data, Simron Thapa Jan 2017

Interactive Web-Based Visualization Of Atomic Position-Time Series Data, Simron Thapa

LSU Master's Theses

Extracting and interpreting the information contained in large sets of time-varying three dimensional positional data for the constituent atoms of simulated material system is a challenging task. This thesis work reports our initial implementation of a web-based visualization system and its use-case study. The system allows the users to perform the desired visualization task on a web browser for the position-time series data extracted from the local or remote hosts. It involves a pre-processing step for data reduction, which involves skipping uninteresting parts of the data uniformly (at full atomic configuration level) or non-uniformly (at atomic species level or individual …