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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. ...
TCOM
2008
126views more  TCOM 2008»
13 years 8 months ago
Distributed measurements for estimating and updating cellular system performance
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...
ICPPW
2002
IEEE
14 years 1 months ago
High Performance Air Pollution Simulation Using OpenMP
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...
Marta Parada, María J. Martín, Ramon...
IPPS
2003
IEEE
14 years 1 months ago
An Executable Analytical Performance Evaluation Approach for Early Performance Prediction
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...
WWW
2007
ACM
14 years 8 months ago
AutoPerf: an automated load generator and performance measurement tool for multi-tier software systems
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...
Shrirang Sudhir Shirodkar, Varsha Apte