Large scale and hybrid computing with CP2K - Prace Training Portal
Large scale and hybrid computing with CP2K - Prace Training Portal
Large scale and hybrid computing with CP2K - Prace Training Portal
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ADMM: performanceSt<strong>and</strong>ard <strong>hybrid</strong>ADMM based <strong>hybrid</strong>The DFT model: a solvated proteinA fully solvated protein computed <strong>with</strong>in minutes using <strong>hybrid</strong> functionalsComputer science must be combined <strong>with</strong> domain knowledge!Guidon M; Hutter J; V<strong>and</strong>eVondele J; JCTC 6(8): 2348-2364
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