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JCC
2008
125views more  JCC 2008»
10 years 2 months ago
Efficient electronic integrals and their generalized derivatives for object oriented implementations of electronic structure cal
: For the new parallel implementation of electronic structure methods in ACES III (Lotrich et al., in preparation) the present state-of-the-art algorithms for the evaluation of ele...
Norbert Flocke, Victor Lotrich
QOSA
2009
Springer
10 years 9 months ago
Adaptive Application Composition in Quantum Chemistry
Abstract. Component interfaces, as advanced by the Common Component Architecture (CCA), enable easy access to complex software packages for high-performance scientiļ¬c computing. ...
Li Li, Joseph P. Kenny, Meng-Shiou Wu, Kevin A. Hu...
VIS
2009
IEEE
430views Visualization» more  VIS 2009»
11 years 16 days ago
Interactive Volume Rendering of Functional Representations in Quantum Chemistry
Simulation and computation in chemistry studies have been improved as computational power has increased over decades. Many types of chemistry simulation results are available, from...
Yun Jang and Ugo Varetto
books