Publications of Matthias Scheffler

A. Supady: Exploring Molecular Conformational Space. Freie Universität Berlin

X. Zhao: Adsorbate-adsorbate interactions on metal and metal oxide surfaces: critical role in surface structures and reactions. Technische Universität Berlin

F. Knuth: Strain and Stress: Derivation, Implementation, and Application to Organic Crystals. Freie Universität Berlin

N. Richter: Charged point defects in oxides – a case study of MgO bulk and surface F centers. Technische Universität Berlin

V. Atalla: Density-functional theory and beyond for organic electronic materials. Technische Universität Berlin

Q. Yan: Theoretical Study of Material and Device Properties of Group-III Nitrides. University of California Santa Barbara St. Barbara

M. Rossi: Ab initio study of alanine-based polypeptide secondary-structure motifs in the gas phase. Technische Universität Berlin

B. Santra: Density-Functional Theory Exchange-Correlation Functionals for Hydrogen Bonds in Water. Technische Universität Berlin Berlin

B. Li: Density-functional theory and quantum chemistry studies on "dry" and "wet" NaCl(001). Technische Universität Berlin

X. Li: All electron G₀W₀ code based on FP-(L)APW+lo and applications. Freie Universität Berlin

A. Kleinsorge: Tight-Binding Simulationen von InAs/GaAs Quantenpunkten. Technische Universiät Berlin Berlin

N. Bücking: Optical excitation and electron relaxation dynamics at semiconductor surfaces - A combined approach of density functional and density matrix theory applied to the silicon (001) surface. Technische Universität Berlin

C. Freysoldt: Ultrathin insulator films from first principles: a ground and excited-state perspective. Freie Universität Berlin

T. Hammerschmidt: Growth simulations of InAs/GaAs quantum dots. Technische Universität Berlin

M. Hortamani: Theory of adsorption, diffusion and spinpolarization of Mn on Si(001) and Si(111) substrates. Freie Universität Berlin

P. Eggert: Theoretische Untersuchung von Vielteilcheneffekten auf Silizium-Halbleiteroberflächen. Freie Universität Berlin

J. Behler: Dissociation of Oxygen Molecules on the Al(111) Surface. Technische Universität Berlin

M. Todorova: Oxidation of Palladium Surfaces. Technische Universität Berlin

J.L.F. Da Silva: The nature and behavior of rare-gas atoms on metal surfaces. Technische Universität Berlin Berlin

E. Penev: On the theory of surface diffusion in InAs/GaAs(001) heteroepitaxy. Technische Universität Berlin