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"Enabling Electronic Structure-Based Ab-Initio Molecular Dynamics ..."
Robert Schade et al. (2021)
- Robert Schade
, Tobias Kenter, Hossam Elgabarty, Michael Lass, Ole Schütt, Alfio Lazzaro, Hans Pabst, Stephan Mohr, Jürg Hutter, Thomas D. Kühne, Christian Plessl:
Enabling Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms. CoRR abs/2104.08245 (2021)
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