323 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Aarhus UniversityDK63 papers
- Universidade Federal do Rio Grande do SulBR6 papers
- Max Planck Institute for Radio AstronomyDE5 papers
- University of CopenhagenDK5 papers
- London Centre for NanotechnologyGB4 papers
- Technische Universität DarmstadtDE4 papers
- Hamburg Centre for Ultrafast Imaging3 papers
- Universität HamburgDE3 papers
- University College LondonGB3 papers
- University of BonnDE3 papers
- AlbaNovaSE2 papers
- Austrian Academy of SciencesAT2 papers
Showing 2022 · physics.chem-phShow all
2 papers · 2 filters
physics.chem-ph2022★ 26 cited
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…
physics.chem-ph2022★ 53 cited
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…