38 citations · 144 across the 12 of their papers we have counts for
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Comprehensive Structure Exploration and Thermodynamics of Graphitic Heteroatom Doped Graphene Superstructures
Benedict Saunders, Lukas Hörmann, Reinhard J. Maurer
Graphene has been studied in detail due to its mechanical, electrical, and thermal properties. It is well documented that the introduction of dopants or defects in the lattice can…
Vibrational Energy Dissipation in Non-Contact Single-Molecule Junctions Governed by Local Geometry and Electronic Structure
Lukas Hörmann, Reinhard J. Maurer
The vibrational dynamics of adsorbate molecules in single-molecule junctions depend critically on the geometric structure and electronic interactions between molecule and substrate…
Machine Learning and Data-Driven Methods in Computational Surface and Interface Science
Lukas Hörmann, Wojciech G. Stark, Reinhard J. Maurer
Nanoscale design of surfaces and interfaces is essential for modern technologies like organic LEDs, batteries, fuel cells, superlubricating surfaces, and heterogeneous catalysis. H…