75 citations · 94 across the 3 of their papers we have counts for
3 papers
SoLiD26: A First Principles Solid-Liquid Interface Dataset for Machine-learned Interatomic Potentials
Jonas Busk, Emil J. P. Frost, Yogeshwaran Krishnan +7
Machine-learned interatomic potentials (MLIPs) enable simulations of larger atomistic systems over longer timescales than traditional ab initio methods but require large, diverse t…
Room temperature structure and energetics of water-hydroxyl layers on Pt(111)
August E. G. Mikkelsen, Henrik H. Kristoffersen, Jakob Schiøtz +3
The interactions between water and hydroxyl species on Pt(111) surfaces have been intensely investigated due to their importance to fuel cell electrocatalysis. Here we present a ro…
Steps on Rutile TiO2(110): Active Sites for Water and Methanol Dissociation
Umberto Martinez, Lasse B. Vilhelmsen, Henrik H. Kristoffersen +2
We present a detailed investigation of the structure and activity of extended defects namely monoatomic steps on (1x1)-TiO2(110). Specifically, the two most stable <001> and <1-11>…