161 citations · 162 across the 4 of their papers we have counts for
Showing cond-mat.mtrl-sciShow all
2 papers · 1 filter
cond-mat.mtrl-sci2026
Best Practices for First-Principles Modeling of Amorphous Oxide Semiconductors: A Statistical Framework and Application to Zn-Sn-O
Michiel J. van Setten, Tonglin L. Newsom, Christopher Pashartis +3
Ternary and quaternary amorphous oxide semiconductors have many properties that make them promising candidates for use in electronic applications like display, memory, and back end…
cond-mat.mtrl-sci2024★ 1 cited
A First-Principles Tool to Discover New Pyrometallurgical Refining Options
Michiel J. Van Setten, Annelies Malfliet, Geoffroy Hautier +1
We demonstrate the opportunities of first-principles density functional theory (DFT) calculations for the development of new metallurgical refining processes. As such, a methodolog…