Quantum Chemistry | Sciweavers

14

JCC
2008

125views more JCC 2008»

Efficient electronic integrals and their generalized derivatives for object oriented implementations of electronic structure cal

13 years 4 months ago

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: 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

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15

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QOSA
2009
Springer

170views Software Engineering» more QOSA 2009»

Adaptive Application Composition in Quantum Chemistry

13 years 11 months ago

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Abstract. Component interfaces, as advanced by the Common Component Architecture (CCA), enable easy access to complex software packages for high-performance scientiﬁc computing. ...

Li Li, Joseph P. Kenny, Meng-Shiou Wu, Kevin A. Hu...

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32

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VIS
2009
IEEE

430views Visualization» more VIS 2009»

Interactive Volume Rendering of Functional Representations in Quantum Chemistry

14 years 2 months ago

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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

posted by jangy

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