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218
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SC
2005
ACM
16 years 29 days ago
Multilevel Parallelism in Computational Chemistry using Common Component Architecture and Global Arrays
The development of complex scientific applications for high-end systems is a challenging task. Addressing complexity of the involved software and algorithms is becoming increasing...
Manojkumar Krishnan, Yuri Alexeev, Theresa L. Wind...
158
Voted
CE
2007
121views more  CE 2007»
15 years 7 months ago
Transition from traditional to ICT-enhanced learning environments in undergraduate chemistry courses
This paper describes a three-year study conducted among chemistry instructors (professors and teaching assistants) at a post-secondary institution. The goal was to explore the int...
Miri Barak
219
Voted
EUROGP
2005
Springer
123views Optimization» more  EUROGP 2005»
16 years 28 days ago
An Algorithmic Chemistry for Genetic Programming
Abstract. Genetic Programming has been slow at realizing other programming paradigms than conventional, deterministic, sequential vonNeumann type algorithms. In this contribution w...
Christian Lasarczyk, Wolfgang Banzhaf
264
Voted
BMCBI
2005
196views more  BMCBI 2005»
15 years 7 months ago
Chemistry in Bioinformatics
Chemical information is now seen as critical for most areas of life sciences. But unlike Bioinformatics, where data is Openly available and freely re-usable, most chemical informa...
Peter Murray-Rust, John B. O. Mitchell, Henry S. R...
243
Voted
QOSA
2009
Springer
16 years 1 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 scientific computing. ...
Li Li, Joseph P. Kenny, Meng-Shiou Wu, Kevin A. Hu...