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Breaking the exascale barrier for the electronic structure problem in
ab-initio
molecular dynamics
The International Journal of High Performance Computing Applications (2023) -
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doi: 10.1177/10943420231177631 issn: 1094-3420 issn: 1741-2846
Robert Schade, Tobias Kenter, Hossam Elgabarty, Michael Lass, Thomas D. Kühne, Christian Plessl
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SAGE Publications
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