Compression in molecular simulation datasets

Abstract

In this paper, we present a compression framework, for molecular dynamics (MD) simulation data, which yields significant performance by combining the strength of principal component analysis (PCA) and discrete cosine transform (DCT). Though it is a lossy compression technique, the effect on analytics performed on decompressed data is very minimal. Compression ratio up to 13 is achieved with acceptable errors in results of analytical functions. © 2013 Springer-Verlag Berlin Heidelberg.