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20092022
most citedAFLOW: An automatic framework for high-throughput materials discovery

1.6k citations · 2k across the 11 of their papers we have counts for

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Showing 2015Show all

2 papers · 1 filter

cond-mat.mtrl-sci2015

Modeling Disordered Materials with a High Throughput ab-initio Approach

Keson Yang, Corey Oses, Stefano Curtarolo

Predicting material properties of disordered systems remains a long-standing and formidable challenge in rational materials design. To address this issue, we introduce an automated…

cond-mat.mtrl-sci2015★ 52 cited

Creating Two-Dimensional Electron Gas in Nonpolar Oxide Interface via Polarization Discontinuity: First-Principles Analysis of CaZrO3/SrTiO3 Heterostructure

Safdar Nazir, Jianli Cheng, Kesong Yang

We studied strain-induced polarization and resulting conductivity in the nonpolar/nonpolar CaZrO3/SrTiO3 (CZO/STO) heterostructure (HS) system by means of first-principles electron…