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CPHYSICS
2008
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13 years 11 months ago
On ERI sorting for SIMD execution of large-scale Hartree-Fock SCF
Given the resurgent attractiveness of single-instruction-multiple-data (SIMD) processing, it is important for high-performance computing applications to be SIMD-capable. The Hartr...
Tirath Ramdas, Gregory K. Egan, David Abramson, Ki...
CF
2007
ACM
14 years 3 months ago
Converting massive TLP to DLP: a special-purpose processor for molecular orbital computations
We propose an application specific processor for computational quantum chemistry. The kernel of interest is the computation of electron repulsion integrals (ERIs), which vary in c...
Tirath Ramdas, Gregory K. Egan, David Abramson, Ki...