246 citations · 561 across the 6 of their papers we have counts for
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physics.chem-ph2023
The fundamental drivers of electrochemical barriers
Xi Chen, Georg Kastlunger, Andrew A. Peterson
We find that ion creation/destruction dominates the behavior of electrochemical reaction barriers, through grand-canonical electronic structure calculations of proton-deposition on…
cond-mat.mtrl-sci2023★ 10 cited
The phase stability of large-size nanoparticle alloy catalysts at ab initio quality using a nearsighted force-training approach
Cheng Zeng, Sushree Jagriti Sahoo, Andrew J. Medford +1
CoPt nanoparticle catalysts are integral to commercial fuel cells. Such systems are prohibitive to fully characterize with electronic structure calculations. Machine-learned potent…