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Performance Tuning of Fock Matrix and Two-Electron Integral Calculations for NWChem on Leading HPC Platforms.
Hongzhang Shan
Brian Austin
Wibe de Jong
Leonid Oliker
Nicholas J. Wright
Edoardo Aprà
Published in:
PMBS@SC (2013)
Keyphrases
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high performance computing
neural network
fault tolerance
electron beam
singular value decomposition
electron microscopy
load balancing
low rank
matrix representation
symmetric matrices