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A submatrix-based method for approximate matrix function evaluation in the quantum chemistry code CP2K.
Michael Lass
Robert Schade
Thomas D. Kühne
Christian Plessl
Published in:
SC (2020)
Keyphrases
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experimental evaluation
high accuracy
evaluation method
significant improvement
synthetic data
clustering method
preprocessing
high precision
classification method
cost function
probabilistic model
computational cost
pairwise
data sets
edge detection
covariance matrix
gold standard