Abstract: A new parallel algorithm has been developed for calculating the analytic energy derivatives of full accuracy second order Møller-Plesset perturbation theory (MP2). Its m...
Abstract-- In this paper, we propose a new method to construct graphical representations of cortical folding patterns by computing skeletons on triangulated cortical surfaces. In o...
Yonggang Shi, Paul M. Thompson, Ivo D. Dinov, Arth...
Abstract: Starting from the 1980s and onwards, Valence Bond theory has been enjoying renaissance that is characterized by the development of a growing number of ab initio methods, ...
Abstract--High-dimensional data are common in many domains, and dimensionality reduction is the key to cope with the curse-of-dimensionality. Linear discriminant analysis (LDA) is ...
Abstract--Plenty of methods have been proposed in order to discover latent variables (features) in data sets. Such approaches include the principal component analysis (PCA), indepe...