most citedAccelerating Finite-temperature Kohn-Sham Density Functional Theory with Deep Neural Networks

67 citations · 67 across the 1 of their papers we have counts for

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cond-mat.mtrl-sci2020★ 67 cited

Accelerating Finite-temperature Kohn-Sham Density Functional Theory with Deep Neural Networks

J. Austin Ellis, Lenz Fiedler, Gabriel A. Popoola +5

We present a numerical modeling workflow based on machine learning (ML) which reproduces the the total energies produced by Kohn-Sham density functional theory (DFT) at finite elec…