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» Application driven software for chemistry
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EIT
2008
IEEE
13 years 11 months ago
Application driven software for chemistry
Donald Ephraim Curtis, Teodor Rus, Jan Jensen
QOSA
2009
Springer
13 years 11 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...
SC
2005
ACM
13 years 10 months 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...
IJWGS
2007
88views more  IJWGS 2007»
13 years 4 months ago
Lessons learned through driving science applications in the PRAGMA grid
: This paper describes the coordination, design and implementation of the PRAGMA Grid. Applications in genomics, quantum mechanics, climate simulation, organic chemistry and molecu...
Cindy Zheng, Mason J. Katz, Philip M. Papadopoulos...
ISMAR
2002
IEEE
13 years 9 months ago
Augmented Chemistry: An Interactive Educational Workbench
This system paper reports on some of the advantages tangible interaction can bring to chemistry education. The paper describes the realisation of an in-house designed Tangible Use...
Morten Fjeld, Benedikt M. Voegtli