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. ...
— 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...
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]...
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...
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...