New developments in the field of theoretical chemistry require the computation of numerous Molecular Potential Energy Surfaces (PESs) to generate adequate quantum force field pa...
We present a method for unsupervised boundary classijication by producing and analyzing intensity profiles. Each profile is created by sampling an ellipsoidal neighborhood of voxe...
Recent years have seen numerous examples when designs play an important role in the study of such topics in cryptography as secrecy and authentication codes, secret sharing scheme...
A new computational framework is developed for the evolutionary determination of molecular crystal structures using the Shake-and-Bake methodology. Genetic algorithms are performe...
The trend of data intensive grid applications has brought grid storage protocols and servers into focus. The objective of this study is to gain an understanding of how time is spen...