Computational Material Science Project


This project is intended to explore and examine the ideas presented in a recent paper in the field of computational material science. Specifically we hope to analyze and attempt to implement the methods presented in the paper entitled: Time Series Analysis of Molecular Dynamics Simulation using Wavelets by Mikito Toda. The object of this paper is to use a combination of wavelet compression techniques coupled with the singular value decomposition to generate a reduced order approximation of a molecular dynamics simulation.

This Work

If you would like to look through the results and methodology the work, you can download the tar-zipped folder here.