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1 Ergebnisse
1
Enabling Electronic Structure-Based Ab-Initio Molecular Dyn..:
Schade, Robert
;
Kenter, Tobias
;
Elgabarty, Hossam
...
doi:10.5281/zenodo.4692507. , 2021
Link:
https://zenodo.org/record/4692508
RT Journal T1
Enabling Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms
UL https://suche.suub.uni-bremen.de/peid=base-ftzenodo:oai:zenodo.org:4692508&Exemplar=1&LAN=DE A1 Schade, Robert A1 Kenter, Tobias A1 Elgabarty, Hossam A1 Lass, Michael A1 Schütt, Ole A1 Lazzaro, Alfio A1 Pabst, Hans A1 Mohr, Stephan A1 Hutter, Jürg A1 Kühne, Thomas D A1 Plessl, Christian YR 2021 K1 linear scaling Ab initio simulations K1 million atoms K1 electronic structure K1 molecular dynamics K1 HIV capsid K1 massively parallel computing K1 submatrix method JF doi:10.5281/zenodo.4692507 LK http://dx.doi.org/https://zenodo.org/record/4692508 DO https://zenodo.org/record/4692508 SF ELIB - SuUB Bremen
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