246 citations · 316 across the 3 of their papers we have counts for
3 papers
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…
Scaled and Dynamic Optimizations of Nudged Elastic Bands
Per Lindgren, Georg Kastlunger, Andrew A. Peterson
We present a modified nudged elastic band routine that can reduce the number of force calls by more than 50% for bands with non-uniform convergence. The method, which we call "dyNE…
A challenge to the Delta G~0 interpretation of hydrogen evolution
Per Lindgren, Georg Kastlunger, Andrew A. Peterson
Platinum is a nearly perfect catalyst for the hydrogen evolution reaction, and its high activity has conventionally been explained by its close-to-thermoneutral hydrogen binding en…