Publications of Matthias Scheffler

Thesis - PhD (38)

861.
Thesis - PhD
Ahmetcik, E.: Artificial intelligence for crystal structure prediction. Technische Universität Berlin
862.
Thesis - PhD
Knoop, F.: Heat transport in strongly anharmonic solids from first principles. Humboldt-Universität zu Berlin
863.
Thesis - PhD
Yuan, Z.: Electrical conductivity from first principles. Humboldt-Universität zu Berlin
864.
Thesis - PhD
Lenz-Himmer, M.-O. and M. Scheffler: Towards efficient novel materials discovery: Acceleration of high-throughput calculations and semantic management of big data using ontologies. Humboldt-Universität Berlin
865.
Thesis - PhD
Zhou, Y.: Surface Phase Diagrams Including Anharmonic Effects via a Replica-Exchange Grand-Canonical Method. Technische Universität Berlin
866.
Thesis - PhD
Kokott, S.: First-principles Investigation of Small Polarons in Metal Oxides. Humboldt Universität Berlin
867.
Thesis - PhD
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
868.
Thesis - PhD
Supady, A.: Exploring Molecular Conformational Space. Freie Universität Berlin
869.
Thesis - PhD
Zhao, X.: Adsorbate-adsorbate interactions on metal and metal oxide surfaces: critical role in surface structures and reactions. Technische Universität Berlin
870.
Thesis - PhD
Knuth, F.: Strain and Stress: Derivation, Implementation, and Application to Organic Crystals. Freie Universität Berlin
871.
Thesis - PhD
Richter, N.: Charged point defects in oxides – a case study of MgO bulk and surface F centers. Technische Universität Berlin
872.
Thesis - PhD
Atalla, V.: Density-functional theory and beyond for organic electronic materials. Technische Universität Berlin
873.
Thesis - PhD
Yan, Q.: Theoretical Study of Material and Device Properties of Group-III Nitrides. University of California Santa Barbara St. Barbara
874.
Thesis - PhD
Rossi, M.: Ab initio study of alanine-based polypeptide secondary-structure motifs in the gas phase. Technische Universität Berlin
875.
Thesis - PhD
Santra, B.: Density-Functional Theory Exchange-Correlation Functionals for Hydrogen Bonds in Water. Technische Universität Berlin Berlin
876.
Thesis - PhD
Li, B.: Density-functional theory and quantum chemistry studies on "dry" and "wet" NaCl(001). Technische Universität Berlin
877.
Thesis - PhD
Li, X.: All electron G0W0 code based on FP-(L)APW+lo and applications. Freie Universität Berlin
878.
Thesis - PhD
Kleinsorge, A.: Tight-Binding Simulationen von InAs/GaAs Quantenpunkten. Technische Universiät Berlin Berlin
879.
Thesis - PhD
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
880.
Thesis - PhD
Freysoldt, C.: Ultrathin insulator films from first principles: a ground and excited-state perspective. Freie Universität Berlin
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