Conference Paper (271)
1977
Conference Paper
Freund, H.-J., and : Influence of Matrix Effects on Quantitative Chemical Analysis by ESCA. In: Proceedings of the Seventh International Vacuum Congress and the Third International Conference on Solid Surfaces of the International Union for Vacuum Science, Technique and Applications. 1977 (Ed.): . IVC, ICSS, Vienna, 2263–2266 (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 (1047)
2024
Thesis - PhD
Liu, X.: Machine learning and reaction dynamics: From spectroscopic constants of diatomic molecules to buffer gas chemistry. Freie Universität Berlin
2023
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
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
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
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
Thesis - PhD
Grabarics, M.: Glycan analysis using mass spectrometry-based techniques. Freie Universität Berlin
Thesis - PhD
Grosu, C.: Capturing ion dynamics in lithium intercalated graphite: bridging the gap between experiment and theory through advanced nuclear magnetic resonance and multiscale modeling. Technische Universität München
Thesis - PhD
Heitz, J.: Spintronic operations driven by terahertz electromagnetic pulses.
Thesis - PhD
Knoop, F.: Heat transport in strongly anharmonic solids from first principles. Humboldt-Universität zu Berlin
Thesis - PhD
Lee, S.-E.: Systematic study of the role of the indirect RKKY exchange interaction in ultrafast spin dynamics of 4ƒ antiferromagnets. Freie Universität Berlin
Thesis - PhD
Lee, Y.: Discoveries in Ruthenium Oxide-Based Catalysts: From Morphology Control for Water Electrolysis to Surface Structure Determination via Machine-Learning. Technische Universität München
Thesis - PhD
Leitherer, A.: Robust recognition and exploratory analysis of crystal structures using machine learning. Humboldt Universität Berlin
Thesis - PhD
Lenz-Himmer, M.-O.: Towards efficient novel materials discovery: Acceleration of high-throughput calculations and semantic management of big data using ontologies. Humboldt-Universität Berlin
Thesis - PhD
Lettow, M.: Fucosylated and Sulfated Glycans Investigated using Cryogenic Infrared Spectroscopy. Radboud Universiteit Nijmegen
Thesis - PhD
Malerz, S.: Advances in Liquid-Jet Photoelectron Spectroscopy: Determination of Absolute Energetics and Probing Chirality in Solution. Freie Universität Berlin
Thesis - PhD
Regler, B.: Systematic identification of relevant features for the statistical modeling of materials properties of crystalline solids. Freie Universität Berlin
Thesis - PhD
Staacke, C.: The Electrostatic Gap: Combining Electrostatic Models with Machine Learning Potentials. Technische Universität München
Thesis - PhD
Stegmaier, S.: Working Interfaces in Solid-State Electrolytes: A Theoretical Approach towards Realistic Models. Technische Universität München
Thesis - PhD
Stocker, S.: Transferability in chemical machine learning. Technische Universität München
Thesis - PhD
Timmermann, J.: Iridiumoxid as catalyst in water electrolysis: identification of novel surface structures via machine learning. Technische Universität München
Thesis - PhD
Türk, H.: Active Site Generation and Deactivation of the Air Electrode in High Temperature Solid Oxide Cells. Technische Universität München
Thesis - PhD
Wengert, S.: Kernel-based machine learning for molecular crystal structure prediction. Technische Universität München