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. ...
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...
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...
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...
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...