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"Modeling dilute solutions using first-principles molecular dynamics: ..."
Jean-Luc Fattebert et al. (2016)
- Jean-Luc Fattebert
, Daniel Osei-Kuffuor
, Erik W. Draeger, Tadashi Ogitsu
, William D. Krauss:
Modeling dilute solutions using first-principles molecular dynamics: computing more than a million atoms with over a million cores. SC 2016: 12-22
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