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JCC
2007
151views more  JCC 2007»
15 years 6 months ago
New parallel algorithm for MP2 energy gradient calculations
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...
Kazuya Ishimura, Peter Pulay, Shigeru Nagase
TMI
2008
140views more  TMI 2008»
15 years 6 months ago
Hamilton-Jacobi Skeleton on Cortical Surfaces
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...
JCC
2007
71views more  JCC 2007»
15 years 6 months ago
A survey of recent developments in ab initio valence bond theory
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, ...
Philippe C. Hiberty, Sason Shaik
TNN
2008
105views more  TNN 2008»
15 years 6 months ago
Generalized Linear Discriminant Analysis: A Unified Framework and Efficient Model Selection
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 ...
Shuiwang Ji, Jieping Ye
TNN
2008
128views more  TNN 2008»
15 years 6 months ago
Nonnegative Matrix Factorization in Polynomial Feature Space
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...
Ioan Buciu, Nikos Nikolaidis, Ioannis Pitas
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