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Physical Review Letters|March 16, 2007
First-principles statistical mechanics study of the stability of a subnanometer thin surface oxide in reactive environments: CO oxidation at Pd(100)Jutta Rogal, Karsten Reuter, Matthias SchefflerPhysical Review Letters|May 13, 2017
Ab Initio Green-Kubo Approach for the Thermal Conductivity of SolidsChristian Carbogno, Rampi Ramprasad, Matthias SchefflerInnere Medizin (Heidelberg, Germany)|August 4, 2022
[Targeted treatment of non-small cell lung cancer]Matthias Scheffler, Sebastian Michels, Lucia NogovaPhysical Review Letters|July 15, 2017
Unifying Microscopic and Continuum Treatments of van der Waals and Casimir InteractionsPrashanth S Venkataram, Jan Hermann, Alexandre Tkatchenko, et al.The Journal of Physical Chemistry Letters|January 4, 2018
Structure and Stability of Molecular Crystals with Many-Body Dispersion-Inclusive Density Functional Tight BindingMajid Mortazavi, Jan Gerit Brandenburg, Reinhard J Maurer, et al.Physical Review Letters|September 28, 2004
The steady state of heterogeneous catalysis, studied by first-principles statistical mechanicsKarsten Reuter, Daan Frenkel, Matthias SchefflerThe Journal of Chemical Physics|May 20, 2009
Insight from first principles into the nature of the bonding between water molecules and 4d metal surfacesJavier Carrasco, Angelos Michaelides, Matthias SchefflerPhysical Review Letters|October 13, 2007
Ultrathin oxides: bulk-oxide-like model surfaces or unique films?Christoph Freysoldt, Patrick Rinke, Matthias SchefflerThe Journal of Chemical Physics|November 21, 2007
On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: benchmarks approaching the complete basis set limitBiswajit Santra, Angelos Michaelides, Matthias SchefflerThe Journal of Chemical Physics|October 2, 2009
Coupled cluster benchmarks of water monomers and dimers extracted from density-functional theory liquid water: the importance of monomer deformationsBiswajit Santra, Angelos Michaelides, Matthias SchefflerPageof 37