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20092026
most citedDFT-FE -- A massively parallel adaptive finite-element code for large-scale density functional theory calculations

195 citations · 856 across the 41 of their papers we have counts for

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physics.comp-ph2012★ 143 cited

Higher-order adaptive finite-element methods for Kohn-Sham density functional theory

Phani Motamarri, Michael R Nowak, Kenneth Leiter +2

We present an efficient computational approach to perform real-space electronic structure calculations using an adaptive higher-order finite-element discretization of Kohn-Sham den…