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1-2 of 2 results for linear-scaling electronic structure theory

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Select article: Breaking the exascale barrier for the electronic structure problem in ab-initio molecular dynamics

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Research article

First published September, 2023

Breaking the exascale barrier for the electronic structure problem in ab-initio molecular dynamics

Robert Schade, Tobias Kenter, Hossam Elgabarty [...]

The International Journal of High Performance Computing Applications

Select article: The static parallel distribution algorithms for hybrid density-functional calculations in HONPAS package

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Research article

First published March, 2020

The static parallel distribution algorithms for hybrid density-functional calculations in HONPAS package

Xinming Qin, Honghui Shang, Lei Xu [...]

The International Journal of High Performance Computing Applications

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