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20172023
most citedHow to verify the precision of density-functional-theory implementations via reproducible and universal workflows

87 citations · 129 across the 3 of their papers we have counts for

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Showing 2017 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2017

Accurate, Large-Scale and Affordable Hybrid-PBE0 Calculations with GPU-Accelerated Supercomputers

Laura E. Ratcliff, A. Degomme, José A. Flores-Livas +2

Performing high accuracy hybrid functional calculations for condensed matter systems containing a large number of atoms is at present computationally very demanding - when not out…