147 citations · 231 across the 13 of their papers we have counts for
3 papers · 1 filter
Stability, mechanisms and kinetics of emergence of Au surface reconstructions using Bayesian force fields
Cameron J. Owen, Yu Xie, Anders Johansson +2
Metal surfaces have long been known to reconstruct, significantly influencing their structural and catalytic properties. Many key mechanistic aspects of these subtle transformation…
Unraveling the Catalytic Effect of Hydrogen Adsorption on Pt Nanoparticle Shape-Change
Cameron J. Owen, Nicholas Marcella, Yu Xie +4
The activity of metal catalysts depends sensitively on dynamic structural changes that occur during operating conditions. The mechanistic understanding underlying such transformati…
Complexity of Many-Body Interactions in Transition Metals via Machine-Learned Force Fields from the TM23 Data Set
Cameron J. Owen, Steven B. Torrisi, Yu Xie +6
This work examines challenges associated with the accuracy of machine-learned force fields (MLFFs) for bulk solid and liquid phases of d-block elements. In exhaustive detail, we co…