Conference Paper (279)
1977
Conference Paper
Scheffler, M., , and K. Jacobi: Angle-resolved photoemission of the oxygen overlayer on Ni,(001): Part 1 (Calculations). In: Proceedings of the 7th International Vacuum Congress and the 3rd International Conference on Solid Surfaces of the International Union for Vacuum Science, Technique and Applications. (Ed.): ., 2223–2226 (1977).
1976
Conference Paper
Scheffler, M., and : Energy and angle-resolved photoemission. In: Proceedings International Symposium on Photoemission. (Eds.): , , , and . ESA, Paris, France, 227 (1976).
Thesis - PhD (1067)
2025
Thesis - PhD
Cui, M.: Density Functional Tight Binding Theory Informed Multi-fidelity Machine Learning. Humboldt-Universität zu Berlin
Thesis - PhD
Dudzinski, A.: First Step of the Oxygen Reduction Reaction: A Computational Study of O2 Adsorption at Electrified Metal/Water Interfaces. Freie Universität Berlin
Thesis - PhD
Nguyen, K.-L.C.: Electrochemical Reduction of CO2 on UHV-Prepared Cu Single Crystals. Technische Universität Berlin
Thesis - PhD
Oschinski, H.: Efficient Modeling of Interfacial Capacitance Effects in Computational Electrochemistry. Technische Universität Berlin
Thesis - PhD
Yang, F.: Operando Insights into the Impact of Electrolyte Impurity Ions on the Structure of Ni/Co-based Electrocatalysts under Electrochemical Oxygen Evolution Reaction Conditions. Freie Universität Berlin
2024
Thesis - PhD
Eggert, T.: Structure and Energetics of Metal-Water Interfaces from Atomistic Simulations. Technische Universität München
Thesis - PhD
Jin, L.: AI-based simulation of battery system combined with advanced spectroscopy. RWTH Aachen University Aachen
Thesis - PhD
Lee, J.H.: Quantum-State Control of Chiral Molecules Using Microwave and Ultraviolet Radiation. Radboud University Nijmegen
Thesis - PhD
Liu, X.: Machine learning and reaction dynamics: From spectroscopic constants of diatomic molecules to buffer gas chemistry. Freie Universität Berlin
Thesis - PhD
Moerman, E.: Basis set and system size convergence of Equation-of-motion coupled-cluster band gaps for extended systems. Humboldt-Universität zu Berlin
Thesis - PhD
Neef, A.: Fluctuations and exciton dynamics in molecular semiconductors. Technische Universität Berlin
Thesis - PhD
Niemann, R.: Sum-frequency generation microscopy: infrared sub-diffractional imaging of surface phonon polaritons. Freie Universität Berlin
Thesis - PhD
Plescher, J.: A comprehensive study of surface and space charge effects at an operating water splitting iron oxide photoanode. Freie Universität Berlin
Thesis - PhD
Rouzegar, R.: Laser-driven terahertz spin transport: driving force and applications. Freie Universität Berlin
Thesis - PhD
Trahms, M.: Josephson spectroscopy of single atoms in a scanning tunneling microscope. Freie Universität Berlin
2023
Thesis - PhD
Akkouch, A.H.: First-Principles Investigations of Structural Vibrations and Point Defects in 2D Materials: Insights from Electronic Structure Methods and Raman Spectroscopy. Universität Hamburg
Thesis - PhD
Annies, S.: Meso-scale modeling of the structural, electronic and transport properties governing (dis-)charging processes in lithium intercalated graphite anodes. Technische Universität München
Thesis - PhD
Bi, S.: Self-interaction corrected SCAN functional for molecules and solids in the numeric atom-center orbital framework. Humboldt Universität zu Berlin
Thesis - PhD
Chen, K.: Molecular Machine Learning for Complex Electronic Properties. Technische Universität München
Thesis - PhD
Deimel, M.: Ab Initio Studies of the Activity and Selectivity of Transition Metal Catalysts for CO Hydrogenation. Technische Universität München
Thesis - PhD
Demling, A.: Elementary processes at surfaces and interfaces of electrochemically relevant systems. Humboldt-Universität zu Berlin
Thesis - PhD
Duarte Correa, L.J.: Chemical electron microscopy of perimeter structures in bimetallic nanocatalyst systems. Technische Universität Berlin
Thesis - PhD
Ghan, S.: Electronic Couplings from Density Functional Theory: Quantitative Approaches. Technische Universität München
Thesis - PhD
Greis, K.: Structural Analysis of Glycosyl Cations and Other Intermediates Using Cryogenic Infrared Spectroscopy. Freie Universität Berlin
Thesis - PhD
Gückstock, O.: Spintronic terahertz emission: insights and applications. Freie Universität Berlin
Thesis - PhD
Gura, L.: High-Speed Scanning Tunneling Microscopy on Thin Oxide Film Systems. Humbold Universität zu Berlin
Thesis - PhD
Herzog, A.: Operando Insights into Size and Shape-controlled Cu-based Nanocatalysts for the Electrochemical Reduction of CO2 toward C2+ products. Technische Universität Berlin
Thesis - PhD
Hofsäss, S.: Laser cooling of atoms and molecules in the deep ultraviolet. Radboud Universiteit Nijmegen
Thesis - PhD
Hu, X.: Metal Cations in Protein Force Fields: From Data Set Creation and Benchmarks to Polarizable Force Field Implementation and Adjustment. Freie Universität Berlin
Thesis - PhD
Kirschbaum, C.: Lipid Fingerprinting by Mass Spectrometry and Laser Light. Freie Universität Berlin
Thesis - PhD
Kordus, D.: Investigations on structure and chemical state of catalysts for CO2 hydrogenation. Ruhr Universität Bochum
Thesis - PhD
Landini, E.: Machine Learning Based Screening of Double Perovskites for Photovoltaic Applications. Technische Universität München
Thesis - PhD
Langer, M.F.: Machine Learning for Atomistic Modeling: Representations and Thermal Transport. Technische Universität Berlin
Thesis - PhD
Lopez-Luna, M.: Support and size effects in CO2 hydrogenation reactions over Fe-based catalysts. Technische Universität Berlin
Thesis - PhD
Maklar, J.: Ultrafast Electron Dynamics in Quasi-two-dimensional Quantum Materials. Freie Universität Berlin
Thesis - PhD
Rettenmaier, C.: In situ and Operando Electrocatalysis: Shape-dependent Nanocatalysts for the CO2 Reduction and the Formic Acid Oxidation. Technische Universität Berlin
Thesis - PhD
Rybin, N.: Band structure renormalization at finite temperatures from first principles. Humboldt-Universität zu Berlin
Thesis - PhD
Tanda Bonkano, B.: Ultrafast dynamics and charge transfer at hybrid organic-inorganic interface. Ultrafast optical properties at hybrid terrylene-WS2 interface. Technische Universität Berlin
Thesis - PhD
Triptow, J.: Photoelectron Circular Dichroism of Anionic Chiral Metal Complexes and Deprotonated Molecules. Technische Universität Berlin
2022
Thesis - PhD
Ahmetcik, E.: Artificial intelligence for crystal structure prediction. Technische Universität Berlin
Thesis - PhD
Bellini, G.: Towards the implementation of fundamental knowledge in oxidation catalysis: perovskites as dataset for artificial intelligence analysis. Technische Universität Berlin
Thesis - PhD
Calati, S.: Ultrafast quasiparticle dynamics and the role of screening in WS2 monolayers. Humboldt Universität zu Berlin
Thesis - PhD
Cherasse, M.: Ultrafast dynamics in hybrid perovskites. Institut Polytechnique de Paris
Thesis - PhD
Döpking, S.: Error aware analysis of multi-scale reactivity models for chemical surface reactions. Freie Universität Berlin
Thesis - PhD
Doppelbauer, M.: The AlF Molecule as a Candidate for Laser Cooling and Trapping. Radboud Universiteit Nijmegen
Thesis - PhD
Dragoumi, M.: Quasiparticle energies from second-order perturbation theory. Freie Universität Berlin
Thesis - PhD
Erdem, E.: The impact of alkali-vanadate(s) in supported vanadia catalysts on the propane oxidation reaction. Technische Universität Berlin
Thesis - PhD
Felsen, F.: Optimal experimental designs for the exploration of reaction kinetic phase diagrams. Technische Universität München