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most citedSemi-Automated Creation of Density Functional Tight Binding Models Through Leveraging Chebyshev Polynomial-based Force Fields

31 citations · 82 across the 11 of their papers we have counts for

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cond-mat.mtrl-sci2022★ 1 cited

Hydrogen in Disordered Titania: Connecting Local Chemistry, Structure, and Stoichiometry through Accelerated Exploration

James Chapman, Kyoung E. Kweon, Yakun Zhu +8

Hydrogen incorporation in native surface oxides of metal alloys often controls the onset of metal hydriding, with implications for materials corrosion and hydrogen storage. A key r…