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JCC
2007
79views more  JCC 2007»
13 years 7 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. ...
BMCBI
2011
12 years 11 months ago
Faster Smith-Waterman database searches with inter-sequence SIMD parallelisation
Background: The Smith-Waterman algorithm for local sequence alignment is more sensitive than heuristic methods for database searching, but also more time-consuming. The fastest ap...
Torbjørn Rognes
HPCA
2006
IEEE
14 years 8 months ago
Phase characterization for power: evaluating control-flow-based and event-counter-based techniques
Computer systems increasingly rely on dynamic, phasebased system management techniques, in which system hardware and software parameters may be altered or tuned at runtime for dif...
Canturk Isci, Margaret Martonosi
IEEEPACT
2007
IEEE
14 years 2 months ago
Architectural Support for the Stream Execution Model on General-Purpose Processors
There has recently been much interest in stream processing, both in industry (e.g., Cell, NVIDIA G80, ATI R580) and academia (e.g., Stanford Merrimac, MIT RAW), with stream progra...
Jayanth Gummaraju, Mattan Erez, Joel Coburn, Mende...
DSN
2006
IEEE
14 years 1 months ago
BlueGene/L Failure Analysis and Prediction Models
The growing computational and storage needs of several scientific applications mandate the deployment of extreme-scale parallel machines, such as IBM’s BlueGene/L which can acc...
Yinglung Liang, Yanyong Zhang, Anand Sivasubramani...