2 papers
cond-mat.mtrl-sci2026
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) for solid-liquid interfaces in advanced materials applications, e.g., electrochemistry, catalysis and corrosion, require training dat…
cond-mat.mtrl-sci2021
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…