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07/07/2020
On the Efficient Evaluation of the Exchange Correlation Potential on Graphics Processing Unit Clusters
The predominance of Kohn-Sham density functional theory (KS-DFT) for the...
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08/16/2019
A Shift Selection Strategy for Parallel Shift-Invert Spectrum Slicing in Symmetric Self-Consistent Eigenvalue Computation
The central importance of large scale eigenvalue problems in scientific ...
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04/19/2017
