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PR
2007
125views more  PR 2007»
13 years 8 months ago
Calculating geometric properties of three-dimensional objects from the spherical harmonic representation
The volume, location of the centroid, and second order moments of a threedimensional star-shaped object are determined in terms of the spherical harmonic coefficients of its bound...
Artemy Baxansky, Nahum Kiryati
JCC
2007
79views more  JCC 2007»
13 years 8 months ago
Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations
Abstract: A hybrid quantum mechanical/molecular mechanical (QM/MM) potential energy function with HartreeFock, density functional theory (DFT), and post-HF (RIMP2, MP2, CCSD) capab...
H. Lee Woodcock III, Milan Hodoscek, Andrew T. B. ...
TPDS
1998
98views more  TPDS 1998»
13 years 8 months ago
A Basic-Cycle Calculation Technique for Efficient Dynamic Data Redistribution
—Array redistribution is usually required to enhance algorithm performance in many parallel programs on distributed memory multicomputers. Since it is performed at run-time, ther...
Yeh-Ching Chung, Ching-Hsien Hsu, Sheng-Wen Bai
DATE
2007
IEEE
150views Hardware» more  DATE 2007»
14 years 3 months ago
Fast memory footprint estimation based on maximal dependency vector calculation
In data dominated applications, loop transformations have a huge impact on the lifetime of array data and therefore on memory footprint. Since a locally optimal loop transformatio...
Qubo Hu, Arnout Vandecappelle, Per Gunnar Kjeldsbe...
HPCA
1995
IEEE
14 years 8 days ago
Program Balance and Its Impact on High Performance RISC Architectures
Information on the behavior of programs is essential for deciding the number and nature of functional units in high performance architectures. In this paper, we present studies on...
Lizy Kurian John, Vinod Reddy, Paul T. Hulina, Lee...