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. ...
We investigate the use of distributed measurements for estimating and updating the performance of a cellular system. Specifically, we discuss the number and placement of sensors in...
Liang Xiao, Larry J. Greenstein, Narayan B. Manday...
The aim of this work is to provide a high performance air quality simulation using the STEM-II (Sulphur Transport Eulerian Model 2) program. First of all we optimize the sequentia...
Percolation has recently been proposed as a key component of an advanced program execution model for future generation high-end machines featuring adaptive data/code transformatio...
Adeline Jacquet, Vincent Janot, Clement Leung, Gua...
We present a load generator and performance measurement tool (AutoPerf ) which requires minimal input and configuration from the user, and produces a comprehensive capacity analys...