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20142022
most citedConvergence and machine learning predictions of Monkhorst-Pack k-points and plane-wave cut-off in high-throughput DFT calculations

186 citations · 1k across the 18 of their papers we have counts for

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Showing 2019Show all

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cond-mat.mtrl-sci2019★ 70 cited

Data-driven Discovery of 3D and 2D Thermoelectric Materials

Kamal Choudhary, Kevin Garrity, Francesca Tavazza

In this work, we first perform a systematic search for high-efficiency three-dimensional (3D) and two-dimensional (2D) thermoelectric materials by combining semiclassical transport…