Data Compression for Molecular Simulations

Anand Kumar, Xingquan Zhu, Yi-Cheng Tu, Sagar A. Pandit
2011 Biophysical Journal  
Storage of large molecular dynamics (MD) simulation measurements in standard databases is a challenging task. The requirements on disk space, input/output (I/O) and data transfer bandwidth are excessively high due to the large volume, possibly terabytes or petabytes, of data generated. Storage of data in compressed form has been a popular approach to address such issues. In this paper, we present a lossy compression framework that yields significant performance gain by combining the strength of
more » ... the principal component analysis (PCA) and discrete cosine transform (DCT).
doi:10.1016/j.bpj.2010.12.2870 fatcat:wwxglhzbgze4lm4p4huxwffgpq