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20132025
most citedPseudo-Fragment Approach for Extended Systems Derived from Linear-Scaling DFT

7 citations · 7 across the 4 of their papers we have counts for

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Showing 2017Show 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…