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Physical Review Letters|March 10, 2012
New perspective on formation energies and energy levels of point defects in nonmetalsR Ramprasad, H Zhu, Patrick Rinke, et al.Clinical Hemorheology and Microcirculation|September 9, 2017
Microcirculation measurements: Barriers for use in clinical routineDietrich Henzler, Matthias Scheffler, Arne Westheider, et al.Physical Review Letters|July 13, 2004
First-principles study of ferromagnetism in epitaxial Si-Mn thin films on Si(001)Hua Wu, Mahbube Hortamani, Peter Kratzer, et al.Physical Review Letters|August 27, 2013
Thermodynamic equilibrium conditions of graphene films on SiCLydia Nemec, Volker Blum, Patrick Rinke, et al.The Journal of Physical Chemistry. A|January 11, 2014
Validation challenge of density-functional theory for peptides-example of Ac-Phe-Ala5-LysH(+)Mariana Rossi, Sucismita Chutia, Matthias Scheffler, et al.Faraday Discussions|March 30, 2012
Free gold clusters: beyond the static, monostructure descriptionElizabeth C Beret, Luca M Ghiringhelli, Matthias SchefflerPhysical Review Letters|December 13, 2006
Quasiparticle corrections to the electronic properties of anion vacancies at GaAs(110) and InP(110)Magnus Hedström, Arno Schindlmayr, Günther Schwarz, et al.Journal of Chemical Theory and Computation|November 29, 2015
Describing Both Dispersion Interactions and Electronic Structure Using Density Functional Theory: The Case of Metal-Phthalocyanine DimersNoa Marom, Alexandre Tkatchenko, Matthias Scheffler, et al.The Journal of Physical Chemistry Letters|June 1, 2018
Electronic Structure-Reactivity Relationship on Ruthenium Step-Edge Sites from Carbonyl 13C Chemical Shift AnalysisLucas Foppa, Keishi Yamamoto, Wei-Chih Liao, et al.Nature Communications|July 19, 2018
Insightful classification of crystal structures using deep learningAngelo Ziletti, Devinder Kumar, Matthias Scheffler, et al.Pageof 20