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JCC
2007
79views more  JCC 2007»
13 years 9 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. ...
CLUSTER
2007
IEEE
14 years 4 months ago
Balancing productivity and performance on the cell broadband engine
— The Cell Broadband Engine (BE) is a heterogeneous multicore processor, combining a general-purpose POWER architecture core with eight independent single-instructionmultiple-dat...
Sadaf R. Alam, Jeremy S. Meredith, Jeffrey S. Vett...
ARC
2010
Springer
387views Hardware» more  ARC 2010»
14 years 4 months ago
Optimising Memory Bandwidth Use for Matrix-Vector Multiplication in Iterative Methods
Computing the solution to a system of linear equations is a fundamental problem in scientific computing, and its acceleration has drawn wide interest in the FPGA community [1–3]...
David Boland, George A. Constantinides
PPOPP
2010
ACM
14 years 7 months ago
A distributed placement service for graph-structured and tree-structured data
Effective data placement strategies can enhance the performance of data-intensive applications implemented on high end computing clusters. Such strategies can have a significant i...
Gregory Buehrer, Srinivasan Parthasarathy, Shirish...
SASP
2008
IEEE
153views Hardware» more  SASP 2008»
14 years 4 months ago
TRaX: A Multi-Threaded Architecture for Real-Time Ray Tracing
Ray tracing is a technique used for generating highly realistic computer graphics images. In this paper, we explore the design of a simple but extremely parallel, multi-threaded, ...
Josef B. Spjut, Solomon Boulos, Daniel Kopta, Erik...