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20142021
most citedPrediction model of band-gap for AX binary compounds by combination of density functional theory calculations and machine learning techniques

341 citations · 470 across the 7 of their papers we have counts for

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cond-mat.mtrl-sci2014★ 13 cited

Efficient determination of alloy ground-state structures

Atsuto Seko, Kazuki Shitara, Isao Tanaka

We propose an efficient approach to accurately finding the ground-state structures in alloys based on the cluster expansion method. In this approach, a small number of candidate gr…