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The Journal of Physical Chemistry Letters|August 18, 2015
Efficient Calculation of Microscopic Dissolution Rate Constants: The Aspirin-Water InterfaceJulian Schneider, Karsten ReuterThe Journal of Chemical Physics|October 3, 2014
Thermodynamics of surface defects at the aspirin/water interfaceJulian Schneider, Chen Zheng, Karsten ReuterACS Nano|January 24, 2013
MSi₂₀H₂₀ aggregates: from simple building blocks to highly magnetic functionalized materialsDennis Palagin, Karsten ReuterAngewandte Chemie (International Ed. in English)|April 1, 2014
Modeling heat dissipation at the nanoscale: an embedding approach for chemical reaction dynamics on metal surfacesJörg Meyer, Karsten ReuterThe Journal of Chemical Physics|December 3, 2015
Structure sensitivity in oxide catalysis: First-principles kinetic Monte Carlo simulations for CO oxidation at RuO2(111)Tongyu Wang, Karsten ReuterPhysical Review Letters|February 7, 2003
First-principles atomistic thermodynamics for oxidation catalysis: surface phase diagrams and catalytically interesting regionsKarsten Reuter, Matthias SchefflerAccounts of Chemical Research|June 3, 2021
Adsorption Enthalpies for Catalysis Modeling through Machine-Learned DescriptorsMie Andersen, Karsten ReuterThe Journal of Chemical Physics|August 2, 2013
First-principles thermodynamic screening approach to photo-catalytic water splitting with co-catalystsHarald Oberhofer, Karsten ReuterThe Journal of Chemical Physics|December 16, 2011
Assessing computationally efficient isomerization dynamics: ΔSCF density-functional theory study of azobenzene molecular switchingReinhard J Maurer, Karsten ReuterNature Communications|January 13, 2021
Pure non-local machine-learned density functional theory for electron correlationJohannes T Margraf, Karsten ReuterPageof 22