Publications of Matthias Scheffler

Zhou, Y.: Surface Phase Diagrams Including Anharmonic Effects via a Replica-Exchange Grand-Canonical Method. Technische Universität Berlin

Kokott, S.: First-principles Investigation of Small Polarons in Metal Oxides. Humboldt Universität Berlin

Ihrig, A.: Lower-scaling advanced correlation methods with local Resolution of Identity strategies: A large-scale parallel and in-memory Laplace-Transformed MP2 for both molecular and periodic systems. Freie Universität Berlin

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

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

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

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

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

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

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

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

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

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

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

Bücking, N.: 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

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

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

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

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

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