311 citations · 907 across the 10 of their papers we have counts for
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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…
Beyond scaling relations for the description of catalytic materials
Mie Andersen, Sergey V. Levchenko, Matthias Scheffler +1
Computational screening for new and improved catalyst materials relies on accurate and low-cost predictions of key parameters such as adsorption energies. Here, we use recently dev…