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Parallel implementation of efficient charge-charge interaction evaluation scheme in periodic divide-and-conquer density-functional tight-binding calculations.
Yoshifumi Nishimura
Hiromi Nakai
Published in:
J. Comput. Chem. (2018)
Keyphrases
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parallel implementation
charge coupled devices
upper bound
parallel computation
lower bound
worst case
data management
parallel computers
provably secure
computer systems
distributed memory
parallel architecture
message passing interface