311 citations · 907 across the 10 of their papers we have counts for
11 papers
Photoelectron and electron microscopy investigation of laboratory grown Mg-silicate space dust analogues
Steffen Friis Holleufer, Mie Andersen, Frederik Granzow Doktor +9
The atomic structure at the surface of interstellar silicate dust particles likely plays a key role in a variety of chemical processes occurring in star- and planet-forming regions…
Selectivity Trends and Role of Adsorbate-Adsorbate Interactions in CO Hydrogenation on Rhodium Catalysts
Martin Deimel, Hector Prats, Michael Seibt +2
Predictive-quality computational modeling of heterogeneously catalyzed reactions has emerged as an important tool for the analysis and assessment of activity and activity trends. I…
Predicting binding motifs of complex adsorbates using machine learning with a physics-inspired graph representation
Wenbin Xu, Karsten Reuter, Mie Andersen
Computational screening in heterogeneous catalysis relies increasingly on machine learning models for predicting key input parameters due to the high cost of computing these direct…
Interface between graphene and liquid Cu from molecular dynamics simulations
Juan Santiago Cingolani, Martin Deimel, Simone Köcher +3
Controllable synthesis of defect-free graphene is crucial for applications since the properties of graphene are highly sensitive to any deviations from the crystalline lattice. We…
Ab initio thermodynamics of hydrocarbons relevant to graphene growth at solid and liquid Cu surfaces
Mie Andersen, Juan Santiago Cingolani, Karsten Reuter
Using ab initio thermodynamics, the stability of a wide range of hydrocarbon adsorbates under various chemical vapor deposition (CVD) conditions (temperature, methane and hydrogen…
A Practical Guide to Surface Kinetic Monte Carlo Simulations
Mie Andersen, Chiara Panosetti, Karsten Reuter
This review article is intended as a practical guide for newcomers to the field of kinetic Monte Carlo (KMC) simulations, and specifically to lattice KMC simulations as prevalently…